Browse entries in the PDBbind-CN Database
HEADER 4G90_COMPLEX COMPND 4G90_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET UNN A 290 40 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 35.008 21.438 9.695 1.00 47.21 N ATOM 2 CA LYS A 1 35.697 20.190 10.021 1.00 51.75 C ATOM 3 C LYS A 1 34.715 19.056 10.355 1.00 42.04 C ATOM 4 O LYS A 1 33.556 19.301 10.714 1.00 32.83 O ATOM 5 CB LYS A 1 36.696 20.406 11.163 1.00 46.01 C ATOM 6 CG LYS A 1 36.113 21.171 12.340 1.00 55.53 C ATOM 7 CD LYS A 1 37.061 21.202 13.527 1.00 55.08 C ATOM 8 CE LYS A 1 36.337 21.720 14.760 1.00 63.77 C ATOM 9 NZ LYS A 1 35.029 21.014 14.953 1.00 44.02 N ATOM 10 HA LYS A 1 36.248 19.882 9.132 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.032 19.431 11.517 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.548 20.965 10.776 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.907 22.195 12.027 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.183 20.692 12.645 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.429 20.195 13.721 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.902 21.857 13.300 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.152 22.788 14.642 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.964 21.556 15.637 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.425 21.172 14.121 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.200 19.995 15.070 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.557 21.387 15.801 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.432 21.737 10.508 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.394 21.288 8.869 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.710 22.173 9.477 1.00 0.00 H ATOM 25 N GLU A 2 35.197 17.819 10.231 1.00 38.23 N ATOM 26 CA GLU A 2 34.356 16.631 10.367 1.00 33.86 C ATOM 27 C GLU A 2 34.265 16.178 11.820 1.00 21.59 C ATOM 28 O GLU A 2 35.278 15.850 12.426 1.00 20.28 O ATOM 29 CB GLU A 2 34.918 15.487 9.506 1.00 32.54 C ATOM 30 CG GLU A 2 33.925 14.355 9.250 1.00 21.43 C ATOM 31 CD GLU A 2 34.530 13.182 8.499 1.00 14.44 C ATOM 32 OE1 GLU A 2 35.686 12.799 8.781 1.00 16.80 O ATOM 33 OE2 GLU A 2 33.837 12.627 7.628 1.00 18.17 O ATOM 34 HA GLU A 2 33.354 16.891 10.026 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.223 15.900 8.544 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.788 15.071 10.014 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.554 13.997 10.210 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.094 14.749 8.665 1.00 0.00 H ATOM 39 H GLU A 2 36.210 17.695 10.030 1.00 0.00 H ATOM 40 N THR A 3 33.054 16.169 12.373 1.00 22.29 N ATOM 41 CA THR A 3 32.835 15.651 13.724 1.00 23.41 C ATOM 42 C THR A 3 33.050 14.143 13.752 1.00 22.63 C ATOM 43 O THR A 3 33.098 13.493 12.703 1.00 17.33 O ATOM 44 CB THR A 3 31.417 15.955 14.243 1.00 23.11 C ATOM 45 OG1 THR A 3 30.444 15.266 13.442 1.00 23.71 O ATOM 46 CG2 THR A 3 31.141 17.447 14.219 1.00 19.92 C ATOM 47 HA THR A 3 33.554 16.152 14.372 1.00 0.00 H ATOM 48 HB THR A 3 31.348 15.608 15.274 1.00 0.00 H ATOM 49 HG1 THR A 3 29.536 15.467 13.782 1.00 0.00 H ATOM 50 HG23 THR A 3 31.883 17.962 14.829 1.00 0.00 H ATOM 51 HG21 THR A 3 31.197 17.809 13.192 1.00 0.00 H ATOM 52 HG22 THR A 3 30.145 17.637 14.619 1.00 0.00 H ATOM 53 H THR A 3 32.246 16.538 11.833 1.00 0.00 H ATOM 54 N ALA A 4 33.176 13.588 14.954 1.00 21.93 N ATOM 55 CA ALA A 4 33.379 12.151 15.114 1.00 16.41 C ATOM 56 C ALA A 4 32.130 11.413 14.670 1.00 13.08 C ATOM 57 O ALA A 4 32.211 10.330 14.093 1.00 12.22 O ATOM 58 CB ALA A 4 33.713 11.811 16.558 1.00 19.05 C ATOM 59 HA ALA A 4 34.220 11.840 14.494 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.626 12.330 16.850 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.892 12.125 17.203 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.860 10.735 16.652 1.00 0.00 H ATOM 63 H ALA A 4 33.129 14.192 15.800 1.00 0.00 H ATOM 64 N ALA A 5 30.975 12.020 14.925 1.00 12.57 N ATOM 65 CA ALA A 5 29.696 11.443 14.519 1.00 12.89 C ATOM 66 C ALA A 5 29.585 11.411 12.995 1.00 16.12 C ATOM 67 O ALA A 5 29.114 10.430 12.429 1.00 10.60 O ATOM 68 CB ALA A 5 28.537 12.216 15.136 1.00 12.36 C ATOM 69 HA ALA A 5 29.647 10.417 14.885 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.613 12.177 16.223 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.577 13.254 14.805 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.595 11.769 14.820 1.00 0.00 H ATOM 73 H ALA A 5 30.982 12.931 15.427 1.00 0.00 H ATOM 74 N ALA A 6 30.024 12.480 12.332 1.00 12.89 N ATOM 75 CA ALA A 6 30.041 12.516 10.869 1.00 9.27 C ATOM 76 C ALA A 6 31.031 11.505 10.284 1.00 10.61 C ATOM 77 O ALA A 6 30.760 10.853 9.278 1.00 12.99 O ATOM 78 CB ALA A 6 30.372 13.927 10.376 1.00 18.07 C ATOM 79 HA ALA A 6 29.045 12.239 10.523 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.618 14.624 10.741 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.352 14.221 10.751 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.381 13.937 9.286 1.00 0.00 H ATOM 83 H ALA A 6 30.362 13.306 12.865 1.00 0.00 H ATOM 84 N LYS A 7 32.189 11.385 10.909 1.00 11.00 N ATOM 85 CA LYS A 7 33.175 10.421 10.460 1.00 10.55 C ATOM 86 C LYS A 7 32.627 8.996 10.568 1.00 11.26 C ATOM 87 O LYS A 7 32.886 8.163 9.706 1.00 10.43 O ATOM 88 CB LYS A 7 34.452 10.552 11.282 1.00 15.76 C ATOM 89 CG LYS A 7 35.553 9.639 10.805 1.00 16.56 C ATOM 90 CD LYS A 7 36.770 9.796 11.669 1.00 20.03 C ATOM 91 CE LYS A 7 38.005 9.343 10.941 1.00 27.20 C ATOM 92 NZ LYS A 7 39.181 9.345 11.854 1.00 28.79 N ATOM 93 HA LYS A 7 33.403 10.626 9.414 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.802 11.582 11.219 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.224 10.310 12.320 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.209 8.606 10.852 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.808 9.890 9.775 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.881 10.845 11.943 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.647 9.197 12.572 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.197 10.018 10.107 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.847 8.334 10.561 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.336 10.308 12.215 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.002 8.699 12.649 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.024 9.029 11.333 1.00 0.00 H ATOM 105 H LYS A 7 32.395 11.988 11.731 1.00 0.00 H ATOM 106 N PHE A 8 31.867 8.716 11.625 1.00 10.99 N ATOM 107 CA PHE A 8 31.253 7.399 11.764 1.00 7.77 C ATOM 108 C PHE A 8 30.260 7.169 10.633 1.00 9.27 C ATOM 109 O PHE A 8 30.198 6.079 10.074 1.00 7.17 O ATOM 110 CB PHE A 8 30.534 7.227 13.123 1.00 7.62 C ATOM 111 CG PHE A 8 29.744 5.936 13.232 1.00 7.63 C ATOM 112 CD1 PHE A 8 28.429 5.863 12.785 1.00 5.99 C ATOM 113 CD2 PHE A 8 30.318 4.797 13.789 1.00 7.60 C ATOM 114 CE1 PHE A 8 27.710 4.668 12.873 1.00 9.05 C ATOM 115 CE2 PHE A 8 29.604 3.606 13.881 1.00 8.57 C ATOM 116 CZ PHE A 8 28.305 3.543 13.424 1.00 9.39 C ATOM 117 HA PHE A 8 32.055 6.662 11.718 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.284 7.241 13.914 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.849 8.064 13.259 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.342 4.838 14.159 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.072 2.722 14.315 1.00 0.00 H ATOM 122 HZ PHE A 8 27.746 2.610 13.496 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.684 4.620 12.509 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.954 6.748 12.361 1.00 0.00 H ATOM 125 H PHE A 8 31.710 9.440 12.355 1.00 0.00 H ATOM 126 N GLU A 9 29.458 8.181 10.316 1.00 7.12 N ATOM 127 CA GLU A 9 28.523 8.036 9.205 1.00 10.70 C ATOM 128 C GLU A 9 29.267 7.789 7.887 1.00 9.80 C ATOM 129 O GLU A 9 28.878 6.911 7.114 1.00 10.86 O ATOM 130 CB GLU A 9 27.583 9.236 9.088 1.00 9.57 C ATOM 131 CG GLU A 9 26.610 9.353 10.269 1.00 10.67 C ATOM 132 CD GLU A 9 25.602 10.476 10.106 1.00 19.02 C ATOM 133 OE1 GLU A 9 25.194 10.753 8.965 1.00 15.78 O ATOM 134 OE2 GLU A 9 25.208 11.078 11.126 1.00 15.88 O ATOM 135 HA GLU A 9 27.906 7.163 9.416 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.183 10.145 9.041 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.005 9.136 8.170 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.068 8.412 10.366 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.186 9.534 11.176 1.00 0.00 H ATOM 140 H GLU A 9 29.497 9.069 10.856 1.00 0.00 H ATOM 141 N ARG A 10 30.329 8.553 7.650 1.00 7.62 N ATOM 142 CA ARG A 10 31.115 8.396 6.423 1.00 10.78 C ATOM 143 C ARG A 10 31.750 7.016 6.330 1.00 6.81 C ATOM 144 O ARG A 10 31.703 6.375 5.284 1.00 9.64 O ATOM 145 CB ARG A 10 32.198 9.474 6.298 1.00 12.66 C ATOM 146 CG ARG A 10 33.093 9.258 5.072 1.00 12.20 C ATOM 147 CD ARG A 10 34.100 10.381 4.874 1.00 10.97 C ATOM 148 NE ARG A 10 34.889 10.658 6.074 1.00 12.54 N ATOM 149 CZ ARG A 10 36.037 10.055 6.372 1.00 14.67 C ATOM 150 NH1 ARG A 10 36.535 9.132 5.562 1.00 15.18 N ATOM 151 NH2 ARG A 10 36.688 10.378 7.477 1.00 18.45 N ATOM 152 HA ARG A 10 30.415 8.511 5.595 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.716 10.448 6.214 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.819 9.454 7.194 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.636 8.321 5.197 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.462 9.195 4.186 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.561 11.286 4.595 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.779 10.101 4.068 1.00 0.00 H ATOM 159 HE ARG A 10 34.529 11.373 6.738 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.433 8.663 5.798 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.028 8.877 4.690 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.585 9.906 7.709 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.303 11.104 8.114 1.00 0.00 H ATOM 164 H ARG A 10 30.606 9.274 8.347 1.00 0.00 H ATOM 165 N GLN A 11 32.321 6.533 7.431 1.00 10.88 N ATOM 166 CA GLN A 11 33.021 5.247 7.393 1.00 10.66 C ATOM 167 C GLN A 11 32.119 4.016 7.490 1.00 11.55 C ATOM 168 O GLN A 11 32.497 2.951 7.016 1.00 10.08 O ATOM 169 CB GLN A 11 34.071 5.173 8.497 1.00 10.53 C ATOM 170 CG GLN A 11 35.169 6.209 8.386 1.00 18.18 C ATOM 171 CD GLN A 11 36.256 5.995 9.424 1.00 22.29 C ATOM 172 OE1 GLN A 11 35.968 5.634 10.561 1.00 20.41 O ATOM 173 NE2 GLN A 11 37.512 6.197 9.029 1.00 25.18 N ATOM 174 HA GLN A 11 33.482 5.217 6.406 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.569 5.309 9.455 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.530 4.185 8.466 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.613 6.147 7.392 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.736 7.199 8.528 1.00 0.00 H ATOM 179 HE22 GLN A 11 37.708 6.503 8.055 1.00 0.00 H ATOM 180 HE21 GLN A 11 38.297 6.049 9.695 1.00 0.00 H ATOM 181 H GLN A 11 32.270 7.070 8.320 1.00 0.00 H ATOM 182 N HIS A 12 30.937 4.157 8.098 1.00 7.77 N ATOM 183 CA HIS A 12 30.158 2.983 8.490 1.00 4.70 C ATOM 184 C HIS A 12 28.687 2.950 8.101 1.00 8.32 C ATOM 185 O HIS A 12 28.053 1.915 8.247 1.00 11.19 O ATOM 186 CB HIS A 12 30.290 2.731 10.002 1.00 7.94 C ATOM 187 CG HIS A 12 31.705 2.568 10.459 1.00 8.64 C ATOM 188 ND1 HIS A 12 32.496 1.509 10.065 1.00 10.73 N ATOM 189 CD2 HIS A 12 32.470 3.332 11.270 1.00 8.97 C ATOM 190 CE1 HIS A 12 33.690 1.631 10.617 1.00 11.41 C ATOM 191 NE2 HIS A 12 33.704 2.734 11.342 1.00 9.67 N ATOM 192 HA HIS A 12 30.607 2.186 7.897 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.851 3.576 10.532 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.740 1.823 10.250 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.165 4.250 11.772 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.523 0.938 10.495 1.00 0.00 H ATOM 197 H HIS A 12 30.568 5.109 8.294 1.00 0.00 H ATOM 198 N MET A 13 28.123 4.061 7.639 1.00 8.05 N ATOM 199 CA MET A 13 26.716 4.030 7.242 1.00 10.60 C ATOM 200 C MET A 13 26.533 3.857 5.731 1.00 11.96 C ATOM 201 O MET A 13 27.053 4.638 4.941 1.00 11.87 O ATOM 202 CB MET A 13 25.952 5.273 7.722 1.00 6.41 C ATOM 203 CG MET A 13 25.819 5.394 9.253 1.00 7.27 C ATOM 204 SD MET A 13 24.925 4.023 10.026 1.00 10.00 S ATOM 205 CE MET A 13 23.373 4.021 9.119 1.00 9.31 C ATOM 206 HA MET A 13 26.294 3.153 7.734 1.00 0.00 H ATOM 207 HB2 MET A 13 26.475 6.156 7.355 1.00 0.00 H ATOM 208 HB3 MET A 13 24.950 5.242 7.295 1.00 0.00 H ATOM 209 HG2 MET A 13 25.289 6.319 9.479 1.00 0.00 H ATOM 210 HG3 MET A 13 26.820 5.436 9.682 1.00 0.00 H ATOM 211 HE1 MET A 13 22.875 4.982 9.251 1.00 0.00 H ATOM 212 HE2 MET A 13 23.573 3.856 8.060 1.00 0.00 H ATOM 213 HE3 MET A 13 22.733 3.224 9.498 1.00 0.00 H ATOM 214 H MET A 13 28.674 4.940 7.561 1.00 0.00 H ATOM 215 N ASP A 14 25.778 2.839 5.340 1.00 9.38 N ATOM 216 CA ASP A 14 25.286 2.754 3.966 1.00 11.56 C ATOM 217 C ASP A 14 23.829 2.300 3.932 1.00 10.74 C ATOM 218 O ASP A 14 23.541 1.158 3.575 1.00 12.68 O ATOM 219 CB ASP A 14 26.138 1.816 3.107 1.00 12.94 C ATOM 220 CG ASP A 14 25.755 1.886 1.633 1.00 19.23 C ATOM 221 OD1 ASP A 14 25.135 2.897 1.252 1.00 17.74 O ATOM 222 OD2 ASP A 14 26.058 0.946 0.868 1.00 20.39 O ATOM 223 HA ASP A 14 25.358 3.757 3.546 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.186 2.097 3.212 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.000 0.794 3.459 1.00 0.00 H ATOM 226 H ASP A 14 25.533 2.091 6.020 1.00 0.00 H ATOM 227 N SER A 15 22.921 3.203 4.293 1.00 8.73 N ATOM 228 CA SER A 15 21.489 2.905 4.325 1.00 11.56 C ATOM 229 C SER A 15 20.885 2.750 2.919 1.00 24.78 C ATOM 230 O SER A 15 19.803 2.175 2.768 1.00 23.88 O ATOM 231 CB SER A 15 20.727 4.016 5.065 1.00 12.42 C ATOM 232 OG SER A 15 21.307 4.330 6.326 1.00 15.15 O ATOM 233 HA SER A 15 21.385 1.954 4.848 1.00 0.00 H ATOM 234 HB2 SER A 15 19.700 3.689 5.225 1.00 0.00 H ATOM 235 HB3 SER A 15 20.729 4.913 4.446 1.00 0.00 H ATOM 236 HG SER A 15 21.303 3.523 6.900 1.00 0.00 H ATOM 237 H SER A 15 23.241 4.155 4.562 1.00 0.00 H ATOM 238 N SER A 16 21.580 3.256 1.898 1.00 16.92 N ATOM 239 CA SER A 16 21.039 3.271 0.522 1.00 26.22 C ATOM 240 C SER A 16 20.785 1.892 -0.107 1.00 38.26 C ATOM 241 O SER A 16 19.860 1.733 -0.908 1.00 37.70 O ATOM 242 CB SER A 16 21.925 4.095 -0.413 1.00 26.89 C ATOM 243 OG SER A 16 22.157 5.394 0.111 1.00 30.70 O ATOM 244 HA SER A 16 20.059 3.734 0.635 1.00 0.00 H ATOM 245 HB2 SER A 16 21.433 4.185 -1.382 1.00 0.00 H ATOM 246 HB3 SER A 16 22.881 3.586 -0.538 1.00 0.00 H ATOM 247 HG SER A 16 22.732 5.903 -0.514 1.00 0.00 H ATOM 248 H SER A 16 22.526 3.650 2.075 1.00 0.00 H ATOM 249 N THR A 17 21.610 0.905 0.232 1.00 35.46 N ATOM 250 CA THR A 17 21.368 -0.459 -0.234 1.00 42.04 C ATOM 251 C THR A 17 21.020 -1.399 0.923 1.00 44.50 C ATOM 252 O THR A 17 21.450 -1.190 2.057 1.00 26.28 O ATOM 253 CB THR A 17 22.559 -1.030 -1.034 1.00 49.00 C ATOM 254 OG1 THR A 17 22.187 -2.297 -1.602 1.00 44.73 O ATOM 255 CG2 THR A 17 23.791 -1.195 -0.133 1.00 27.83 C ATOM 256 HA THR A 17 20.512 -0.398 -0.906 1.00 0.00 H ATOM 257 HB THR A 17 22.815 -0.334 -1.832 1.00 0.00 H ATOM 258 HG1 THR A 17 22.950 -2.664 -2.115 1.00 0.00 H ATOM 259 HG23 THR A 17 24.062 -0.228 0.291 1.00 0.00 H ATOM 260 HG21 THR A 17 23.560 -1.894 0.671 1.00 0.00 H ATOM 261 HG22 THR A 17 24.622 -1.580 -0.723 1.00 0.00 H ATOM 262 H THR A 17 22.434 1.106 0.834 1.00 0.00 H ATOM 263 N SER A 18 20.242 -2.436 0.619 1.00 42.82 N ATOM 264 CA SER A 18 19.718 -3.345 1.633 1.00 41.06 C ATOM 265 C SER A 18 20.798 -4.286 2.144 1.00 35.68 C ATOM 266 O SER A 18 20.817 -4.642 3.326 1.00 31.18 O ATOM 267 CB SER A 18 18.556 -4.167 1.058 1.00 40.80 C ATOM 268 OG SER A 18 17.472 -3.333 0.667 1.00 49.20 O ATOM 269 HA SER A 18 19.363 -2.741 2.468 1.00 0.00 H ATOM 270 HB2 SER A 18 18.208 -4.868 1.816 1.00 0.00 H ATOM 271 HB3 SER A 18 18.909 -4.720 0.188 1.00 0.00 H ATOM 272 HG SER A 18 17.143 -2.831 1.454 1.00 0.00 H ATOM 273 H SER A 18 19.999 -2.604 -0.378 1.00 0.00 H ATOM 274 N ALA A 19 21.691 -4.667 1.233 1.00 34.33 N ATOM 275 CA ALA A 19 22.667 -5.732 1.443 1.00 28.28 C ATOM 276 C ALA A 19 23.280 -6.037 0.094 1.00 48.35 C ATOM 277 O ALA A 19 24.405 -6.540 0.011 1.00 49.81 O ATOM 278 CB ALA A 19 21.983 -6.985 1.968 1.00 39.69 C ATOM 279 HA ALA A 19 23.417 -5.421 2.170 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.494 -6.760 2.916 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.240 -7.322 1.245 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.727 -7.768 2.118 1.00 0.00 H ATOM 283 H ALA A 19 21.693 -4.176 0.316 1.00 0.00 H ATOM 284 N ALA A 20 22.511 -5.708 -0.951 1.00 54.10 N ATOM 285 CA ALA A 20 22.751 -6.092 -2.349 1.00 50.29 C ATOM 286 C ALA A 20 24.218 -6.193 -2.762 1.00 51.82 C ATOM 287 O ALA A 20 24.543 -6.932 -3.696 1.00 44.37 O ATOM 288 CB ALA A 20 21.987 -5.153 -3.298 1.00 51.34 C ATOM 289 HA ALA A 20 22.371 -7.110 -2.430 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.919 -5.217 -3.089 1.00 0.00 H ATOM 291 HB2 ALA A 20 22.328 -4.129 -3.146 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.175 -5.450 -4.330 1.00 0.00 H ATOM 293 H ALA A 20 21.669 -5.129 -0.756 1.00 0.00 H ATOM 294 N SER A 21 25.068 -5.448 -2.048 1.00 47.33 N ATOM 295 CA SER A 21 26.527 -5.421 -2.196 1.00 35.23 C ATOM 296 C SER A 21 27.083 -6.462 -3.152 1.00 35.15 C ATOM 297 O SER A 21 27.173 -7.644 -2.810 1.00 41.67 O ATOM 298 CB SER A 21 27.199 -5.592 -0.826 1.00 27.89 C ATOM 299 OG SER A 21 26.513 -4.861 0.174 1.00 32.40 O ATOM 300 HA SER A 21 26.755 -4.448 -2.630 1.00 0.00 H ATOM 301 HB2 SER A 21 28.227 -5.235 -0.886 1.00 0.00 H ATOM 302 HB3 SER A 21 27.198 -6.649 -0.558 1.00 0.00 H ATOM 303 HG SER A 21 25.580 -5.185 0.236 1.00 0.00 H ATOM 304 H SER A 21 24.656 -4.830 -1.320 1.00 0.00 H ATOM 305 N SER A 22 27.424 -6.028 -4.360 1.00 24.73 N ATOM 306 CA SER A 22 28.072 -6.920 -5.315 1.00 31.71 C ATOM 307 C SER A 22 29.468 -7.281 -4.819 1.00 29.66 C ATOM 308 O SER A 22 29.932 -6.743 -3.820 1.00 25.62 O ATOM 309 CB SER A 22 28.168 -6.266 -6.693 1.00 20.33 C ATOM 310 OG SER A 22 28.780 -4.988 -6.621 1.00 23.81 O ATOM 311 HA SER A 22 27.470 -7.825 -5.403 1.00 0.00 H ATOM 312 HB2 SER A 22 27.164 -6.156 -7.104 1.00 0.00 H ATOM 313 HB3 SER A 22 28.759 -6.906 -7.348 1.00 0.00 H ATOM 314 HG SER A 22 28.826 -4.594 -7.528 1.00 0.00 H ATOM 315 H SER A 22 27.227 -5.043 -4.628 1.00 0.00 H ATOM 316 N SER A 23 30.139 -8.185 -5.527 1.00 25.13 N ATOM 317 CA SER A 23 31.540 -8.484 -5.249 1.00 26.15 C ATOM 318 C SER A 23 32.399 -7.217 -5.409 1.00 16.07 C ATOM 319 O SER A 23 33.512 -7.138 -4.893 1.00 28.40 O ATOM 320 CB SER A 23 32.030 -9.588 -6.192 1.00 26.07 C ATOM 321 OG SER A 23 31.748 -9.234 -7.537 1.00 18.59 O ATOM 322 HA SER A 23 31.633 -8.832 -4.220 1.00 0.00 H ATOM 323 HB2 SER A 23 31.523 -10.522 -5.950 1.00 0.00 H ATOM 324 HB3 SER A 23 33.105 -9.717 -6.070 1.00 0.00 H ATOM 325 HG SER A 23 32.067 -9.952 -8.140 1.00 0.00 H ATOM 326 H SER A 23 29.654 -8.690 -6.296 1.00 0.00 H ATOM 327 N ASN A 24 31.861 -6.232 -6.122 1.00 24.55 N ATOM 328 CA ASN A 24 32.542 -4.970 -6.375 1.00 31.04 C ATOM 329 C ASN A 24 32.397 -3.967 -5.236 1.00 17.15 C ATOM 330 O ASN A 24 33.139 -2.994 -5.184 1.00 13.89 O ATOM 331 CB ASN A 24 31.990 -4.317 -7.650 1.00 30.42 C ATOM 332 CG ASN A 24 32.417 -5.034 -8.916 1.00 39.19 C ATOM 333 OD1 ASN A 24 33.554 -5.498 -9.037 1.00 35.39 O ATOM 334 ND2 ASN A 24 31.504 -5.114 -9.878 1.00 35.01 N ATOM 335 HA ASN A 24 33.598 -5.218 -6.478 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.901 -4.321 -7.599 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.347 -3.288 -7.696 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.558 -4.708 -9.732 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.736 -5.582 -10.777 1.00 0.00 H ATOM 340 H ASN A 24 30.909 -6.369 -6.518 1.00 0.00 H ATOM 341 N TYR A 25 31.441 -4.218 -4.338 1.00 17.52 N ATOM 342 CA TYR A 25 30.982 -3.227 -3.354 1.00 16.62 C ATOM 343 C TYR A 25 32.107 -2.567 -2.546 1.00 9.19 C ATOM 344 O TYR A 25 32.246 -1.344 -2.536 1.00 13.95 O ATOM 345 CB TYR A 25 29.969 -3.866 -2.402 1.00 19.91 C ATOM 346 CG TYR A 25 29.418 -2.932 -1.345 1.00 15.99 C ATOM 347 CD1 TYR A 25 28.344 -2.097 -1.624 1.00 19.26 C ATOM 348 CD2 TYR A 25 29.965 -2.895 -0.062 1.00 15.84 C ATOM 349 CE1 TYR A 25 27.829 -1.243 -0.660 1.00 21.38 C ATOM 350 CE2 TYR A 25 29.453 -2.045 0.907 1.00 14.86 C ATOM 351 CZ TYR A 25 28.384 -1.226 0.605 1.00 17.32 C ATOM 352 OH TYR A 25 27.874 -0.369 1.562 1.00 16.82 O ATOM 353 HA TYR A 25 30.519 -2.428 -3.933 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.456 -4.701 -1.898 1.00 0.00 H ATOM 355 HB2 TYR A 25 29.134 -4.239 -2.995 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.807 -3.543 0.182 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.893 -2.024 1.904 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.991 -0.589 -0.899 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.898 -2.113 -2.618 1.00 0.00 H ATOM 360 HH TYR A 25 27.116 0.139 1.178 1.00 0.00 H ATOM 361 H TYR A 25 31.000 -5.160 -4.335 1.00 0.00 H ATOM 362 N CYS A 26 32.906 -3.381 -1.878 1.00 11.41 N ATOM 363 CA CYS A 26 33.968 -2.860 -1.025 1.00 15.81 C ATOM 364 C CYS A 26 35.041 -2.089 -1.795 1.00 14.41 C ATOM 365 O CYS A 26 35.481 -1.030 -1.353 1.00 14.29 O ATOM 366 CB CYS A 26 34.577 -3.983 -0.198 1.00 8.97 C ATOM 367 SG CYS A 26 33.428 -4.560 1.079 1.00 12.45 S ATOM 368 HA CYS A 26 33.509 -2.133 -0.355 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.486 -3.619 0.281 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.823 -4.816 -0.857 1.00 0.00 H ATOM 371 H CYS A 26 32.775 -4.409 -1.962 1.00 0.00 H ATOM 372 N ASN A 27 35.452 -2.619 -2.947 1.00 16.04 N ATOM 373 CA ASN A 27 36.387 -1.907 -3.813 1.00 17.24 C ATOM 374 C ASN A 27 35.902 -0.493 -4.125 1.00 14.23 C ATOM 375 O ASN A 27 36.668 0.468 -4.058 1.00 17.83 O ATOM 376 CB ASN A 27 36.619 -2.680 -5.122 1.00 14.83 C ATOM 377 CG ASN A 27 37.374 -3.977 -4.907 1.00 18.57 C ATOM 378 OD1 ASN A 27 38.101 -4.126 -3.927 1.00 18.87 O ATOM 379 ND2 ASN A 27 37.206 -4.927 -5.830 1.00 19.36 N ATOM 380 HA ASN A 27 37.331 -1.832 -3.273 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.651 -2.909 -5.569 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.192 -2.051 -5.803 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.581 -4.757 -6.643 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.701 -5.837 -5.736 1.00 0.00 H ATOM 385 H ASN A 27 35.101 -3.555 -3.234 1.00 0.00 H ATOM 386 N GLN A 28 34.620 -0.375 -4.449 1.00 14.84 N ATOM 387 CA GLN A 28 34.034 0.913 -4.787 1.00 15.99 C ATOM 388 C GLN A 28 33.861 1.786 -3.555 1.00 16.78 C ATOM 389 O GLN A 28 34.305 2.937 -3.529 1.00 13.57 O ATOM 390 CB GLN A 28 32.677 0.725 -5.473 1.00 17.96 C ATOM 391 CG GLN A 28 32.763 -0.019 -6.794 1.00 31.80 C ATOM 392 CD GLN A 28 31.403 -0.384 -7.348 1.00 42.80 C ATOM 393 OE1 GLN A 28 30.374 -0.094 -6.735 1.00 47.11 O ATOM 394 NE2 GLN A 28 31.389 -1.027 -8.514 1.00 41.44 N ATOM 395 HA GLN A 28 34.720 1.412 -5.471 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.026 0.164 -4.803 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.245 1.708 -5.658 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.277 0.614 -7.518 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.335 -0.934 -6.643 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.283 -1.251 -8.995 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.484 -1.306 -8.943 1.00 0.00 H ATOM 402 H GLN A 28 34.020 -1.224 -4.462 1.00 0.00 H ATOM 403 N MET A 29 33.205 1.228 -2.540 1.00 17.44 N ATOM 404 CA MET A 29 32.852 1.974 -1.331 1.00 15.64 C ATOM 405 C MET A 29 34.045 2.417 -0.497 1.00 11.94 C ATOM 406 O MET A 29 34.065 3.545 -0.023 1.00 14.14 O ATOM 407 CB MET A 29 31.880 1.164 -0.464 1.00 14.57 C ATOM 408 CG MET A 29 30.498 1.032 -1.071 1.00 18.61 C ATOM 409 SD MET A 29 29.571 2.570 -0.932 1.00 22.39 S ATOM 410 CE MET A 29 29.277 2.586 0.840 1.00 17.75 C ATOM 411 HA MET A 29 32.373 2.888 -1.683 1.00 0.00 H ATOM 412 HB2 MET A 29 32.293 0.165 -0.323 1.00 0.00 H ATOM 413 HB3 MET A 29 31.787 1.657 0.504 1.00 0.00 H ATOM 414 HG2 MET A 29 29.956 0.242 -0.551 1.00 0.00 H ATOM 415 HG3 MET A 29 30.596 0.771 -2.125 1.00 0.00 H ATOM 416 HE1 MET A 29 28.712 1.698 1.121 1.00 0.00 H ATOM 417 HE2 MET A 29 30.232 2.592 1.365 1.00 0.00 H ATOM 418 HE3 MET A 29 28.710 3.478 1.105 1.00 0.00 H ATOM 419 H MET A 29 32.934 0.226 -2.608 1.00 0.00 H ATOM 420 N MET A 30 35.026 1.536 -0.293 1.00 11.99 N ATOM 421 CA MET A 30 36.227 1.929 0.444 1.00 17.46 C ATOM 422 C MET A 30 36.896 3.127 -0.220 1.00 16.21 C ATOM 423 O MET A 30 37.414 4.007 0.452 1.00 15.92 O ATOM 424 CB MET A 30 37.230 0.775 0.576 1.00 11.27 C ATOM 425 CG MET A 30 36.716 -0.411 1.388 1.00 13.28 C ATOM 426 SD MET A 30 36.380 -0.001 3.113 1.00 12.54 S ATOM 427 CE MET A 30 38.054 0.251 3.714 1.00 12.44 C ATOM 428 HA MET A 30 35.907 2.205 1.449 1.00 0.00 H ATOM 429 HB2 MET A 30 37.479 0.422 -0.425 1.00 0.00 H ATOM 430 HB3 MET A 30 38.129 1.157 1.060 1.00 0.00 H ATOM 431 HG2 MET A 30 37.466 -1.202 1.359 1.00 0.00 H ATOM 432 HG3 MET A 30 35.794 -0.770 0.931 1.00 0.00 H ATOM 433 HE1 MET A 30 38.628 -0.666 3.582 1.00 0.00 H ATOM 434 HE2 MET A 30 38.523 1.059 3.152 1.00 0.00 H ATOM 435 HE3 MET A 30 38.023 0.513 4.772 1.00 0.00 H ATOM 436 H MET A 30 34.937 0.567 -0.659 1.00 0.00 H ATOM 437 N LYS A 31 36.877 3.165 -1.546 1.00 19.05 N ATOM 438 CA LYS A 31 37.465 4.299 -2.249 1.00 15.98 C ATOM 439 C LYS A 31 36.579 5.543 -2.137 1.00 18.34 C ATOM 440 O LYS A 31 37.062 6.634 -1.824 1.00 16.92 O ATOM 441 CB LYS A 31 37.730 3.956 -3.714 1.00 20.54 C ATOM 442 CG LYS A 31 38.500 5.041 -4.456 1.00 29.01 C ATOM 443 CD LYS A 31 38.674 4.692 -5.924 1.00 40.74 C ATOM 444 CE LYS A 31 39.210 5.874 -6.711 1.00 40.73 C ATOM 445 NZ LYS A 31 39.149 5.607 -8.178 1.00 52.83 N ATOM 446 HA LYS A 31 38.419 4.523 -1.773 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.307 3.032 -3.755 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.773 3.807 -4.214 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.954 5.981 -4.377 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.483 5.154 -3.999 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.373 3.860 -6.011 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.709 4.398 -6.337 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.246 6.055 -6.423 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.612 6.756 -6.483 1.00 0.00 H ATOM 455 HZ1 LYS A 31 39.722 4.768 -8.401 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.162 5.438 -8.458 1.00 0.00 H ATOM 457 HZ3 LYS A 31 39.521 6.429 -8.695 1.00 0.00 H ATOM 458 H LYS A 31 36.443 2.387 -2.083 1.00 0.00 H ATOM 459 N SER A 32 35.278 5.373 -2.358 1.00 19.42 N ATOM 460 CA SER A 32 34.374 6.522 -2.402 1.00 17.83 C ATOM 461 C SER A 32 34.127 7.186 -1.044 1.00 19.93 C ATOM 462 O SER A 32 33.786 8.371 -0.982 1.00 18.67 O ATOM 463 CB SER A 32 33.047 6.144 -3.063 1.00 21.92 C ATOM 464 OG SER A 32 32.402 5.116 -2.339 1.00 24.04 O ATOM 465 HA SER A 32 34.887 7.270 -3.007 1.00 0.00 H ATOM 466 HB2 SER A 32 33.239 5.800 -4.079 1.00 0.00 H ATOM 467 HB3 SER A 32 32.400 7.021 -3.093 1.00 0.00 H ATOM 468 HG SER A 32 32.985 4.317 -2.312 1.00 0.00 H ATOM 469 H SER A 32 34.900 4.415 -2.501 1.00 0.00 H ATOM 470 N ARG A 33 34.300 6.436 0.040 1.00 16.01 N ATOM 471 CA ARG A 33 34.191 7.016 1.384 1.00 14.29 C ATOM 472 C ARG A 33 35.540 7.473 1.909 1.00 19.13 C ATOM 473 O ARG A 33 35.687 7.816 3.093 1.00 13.28 O ATOM 474 CB ARG A 33 33.552 6.028 2.356 1.00 11.30 C ATOM 475 CG ARG A 33 32.137 5.659 1.977 1.00 8.88 C ATOM 476 CD ARG A 33 31.222 6.879 1.935 1.00 10.05 C ATOM 477 NE ARG A 33 29.844 6.474 1.674 1.00 12.27 N ATOM 478 CZ ARG A 33 29.022 6.015 2.616 1.00 19.27 C ATOM 479 NH1 ARG A 33 29.450 5.940 3.869 1.00 11.22 N ATOM 480 NH2 ARG A 33 27.780 5.639 2.316 1.00 12.24 N ATOM 481 HA ARG A 33 33.548 7.892 1.305 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.155 5.120 2.375 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.540 6.476 3.350 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.146 5.191 0.993 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.749 4.952 2.710 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.555 7.551 1.144 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.269 7.397 2.893 1.00 0.00 H ATOM 488 HE ARG A 33 29.485 6.548 0.701 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.818 5.583 4.614 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.418 6.238 4.107 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.150 5.283 3.063 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.440 5.702 1.335 1.00 0.00 H ATOM 493 H ARG A 33 34.516 5.424 -0.066 1.00 0.00 H ATOM 494 N ASN A 34 36.522 7.466 1.014 1.00 17.48 N ATOM 495 CA ASN A 34 37.853 7.991 1.290 1.00 14.25 C ATOM 496 C ASN A 34 38.610 7.231 2.359 1.00 15.79 C ATOM 497 O ASN A 34 39.341 7.818 3.153 1.00 25.42 O ATOM 498 CB ASN A 34 37.782 9.485 1.620 1.00 20.00 C ATOM 499 CG ASN A 34 37.041 10.278 0.552 1.00 37.61 C ATOM 500 OD1 ASN A 34 37.551 10.478 -0.556 1.00 35.96 O ATOM 501 ND2 ASN A 34 35.826 10.724 0.875 1.00 40.22 N ATOM 502 HA ASN A 34 38.428 7.849 0.375 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.265 9.610 2.572 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.797 9.874 1.705 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.436 10.532 1.820 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.269 11.263 0.182 1.00 0.00 H ATOM 507 H ASN A 34 36.332 7.067 0.073 1.00 0.00 H ATOM 508 N LEU A 35 38.452 5.913 2.360 1.00 19.85 N ATOM 509 CA LEU A 35 39.169 5.054 3.292 1.00 17.91 C ATOM 510 C LEU A 35 40.423 4.455 2.642 1.00 16.68 C ATOM 511 O LEU A 35 41.124 3.664 3.256 1.00 19.94 O ATOM 512 CB LEU A 35 38.238 3.951 3.816 1.00 14.98 C ATOM 513 CG LEU A 35 36.908 4.507 4.341 1.00 15.53 C ATOM 514 CD1 LEU A 35 35.969 3.409 4.829 1.00 15.03 C ATOM 515 CD2 LEU A 35 37.192 5.510 5.451 1.00 19.03 C ATOM 516 HA LEU A 35 39.498 5.660 4.136 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.030 3.254 3.005 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.741 3.424 4.626 1.00 0.00 H ATOM 519 HG LEU A 35 36.397 5.002 3.515 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.728 5.013 6.260 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.801 6.324 5.057 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.250 5.909 5.828 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.748 2.729 4.006 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.447 2.858 5.639 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.043 3.858 5.189 1.00 0.00 H ATOM 526 H LEU A 35 37.798 5.482 1.676 1.00 0.00 H ATOM 527 N THR A 36 40.708 4.844 1.401 1.00 24.04 N ATOM 528 CA THR A 36 41.903 4.352 0.711 1.00 24.13 C ATOM 529 C THR A 36 42.833 5.489 0.283 1.00 28.99 C ATOM 530 O THR A 36 43.610 5.351 -0.669 1.00 24.15 O ATOM 531 CB THR A 36 41.547 3.512 -0.527 1.00 20.91 C ATOM 532 OG1 THR A 36 40.882 4.340 -1.485 1.00 21.36 O ATOM 533 CG2 THR A 36 40.632 2.344 -0.151 1.00 23.72 C ATOM 534 HA THR A 36 42.421 3.723 1.435 1.00 0.00 H ATOM 535 HB THR A 36 42.468 3.111 -0.949 1.00 0.00 H ATOM 536 HG1 THR A 36 40.055 4.707 -1.084 1.00 0.00 H ATOM 537 HG23 THR A 36 41.135 1.710 0.579 1.00 0.00 H ATOM 538 HG21 THR A 36 39.708 2.732 0.278 1.00 0.00 H ATOM 539 HG22 THR A 36 40.403 1.761 -1.043 1.00 0.00 H ATOM 540 H THR A 36 40.072 5.507 0.914 1.00 0.00 H ATOM 541 N LYS A 37 42.761 6.602 1.005 1.00 29.23 N ATOM 542 CA LYS A 37 43.431 7.835 0.594 1.00 32.37 C ATOM 543 C LYS A 37 44.918 7.850 0.932 1.00 33.88 C ATOM 544 O LYS A 37 45.748 8.169 0.084 1.00 38.65 O ATOM 545 CB LYS A 37 42.741 9.046 1.231 1.00 39.55 C ATOM 546 CG LYS A 37 42.914 10.329 0.443 1.00 49.54 C ATOM 547 CD LYS A 37 43.021 11.532 1.363 1.00 53.06 C ATOM 548 CE LYS A 37 43.393 12.783 0.581 1.00 51.77 C ATOM 549 NZ LYS A 37 43.623 13.945 1.484 1.00 55.27 N ATOM 550 HA LYS A 37 43.352 7.886 -0.492 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.675 8.832 1.312 1.00 0.00 H ATOM 552 HB3 LYS A 37 43.157 9.195 2.227 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.822 10.258 -0.156 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.055 10.460 -0.215 1.00 0.00 H ATOM 555 HD2 LYS A 37 42.062 11.691 1.856 1.00 0.00 H ATOM 556 HD3 LYS A 37 43.787 11.340 2.115 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.583 13.024 -0.107 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.304 12.589 0.015 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.756 14.140 2.024 1.00 0.00 H ATOM 560 HZ2 LYS A 37 44.399 13.724 2.140 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.874 14.779 0.916 1.00 0.00 H ATOM 562 H LYS A 37 42.212 6.596 1.888 1.00 0.00 H ATOM 563 N ASP A 38 45.245 7.512 2.175 1.00 30.82 N ATOM 564 CA ASP A 38 46.619 7.566 2.656 1.00 35.94 C ATOM 565 C ASP A 38 47.213 6.166 2.732 1.00 40.03 C ATOM 566 O ASP A 38 48.437 5.992 2.718 1.00 29.86 O ATOM 567 CB ASP A 38 46.671 8.223 4.037 1.00 35.97 C ATOM 568 CG ASP A 38 46.043 9.602 4.050 1.00 48.19 C ATOM 569 OD1 ASP A 38 46.185 10.338 3.048 1.00 52.77 O ATOM 570 OD2 ASP A 38 45.401 9.949 5.065 1.00 58.59 O ATOM 571 HA ASP A 38 47.204 8.160 1.954 1.00 0.00 H ATOM 572 HB2 ASP A 38 46.138 7.589 4.746 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.713 8.311 4.343 1.00 0.00 H ATOM 574 H ASP A 38 44.496 7.199 2.825 1.00 0.00 H ATOM 575 N ARG A 39 46.329 5.177 2.828 1.00 31.54 N ATOM 576 CA ARG A 39 46.708 3.769 2.848 1.00 25.63 C ATOM 577 C ARG A 39 45.456 2.955 2.551 1.00 28.30 C ATOM 578 O ARG A 39 44.357 3.496 2.475 1.00 28.50 O ATOM 579 CB ARG A 39 47.247 3.360 4.219 1.00 26.26 C ATOM 580 CG ARG A 39 46.150 3.137 5.240 1.00 28.04 C ATOM 581 CD ARG A 39 46.655 2.659 6.591 1.00 30.72 C ATOM 582 NE ARG A 39 45.585 2.784 7.581 1.00 40.87 N ATOM 583 CZ ARG A 39 45.324 1.898 8.537 1.00 37.09 C ATOM 584 NH1 ARG A 39 44.317 2.109 9.374 1.00 38.98 N ATOM 585 NH2 ARG A 39 46.062 0.804 8.656 1.00 40.21 N ATOM 586 HA ARG A 39 47.491 3.594 2.110 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.814 2.435 4.109 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.907 4.148 4.583 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.619 4.078 5.385 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.461 2.389 4.847 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.507 3.266 6.897 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.962 1.616 6.517 1.00 0.00 H ATOM 593 HE ARG A 39 44.983 3.631 7.533 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.110 1.418 10.123 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.734 2.966 9.281 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.853 0.115 9.406 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.851 0.635 7.999 1.00 0.00 H ATOM 598 H ARG A 39 45.320 5.419 2.892 1.00 0.00 H ATOM 599 N CYS A 40 45.621 1.653 2.380 1.00 30.07 N ATOM 600 CA CYS A 40 44.476 0.775 2.264 1.00 21.21 C ATOM 601 C CYS A 40 44.024 0.448 3.678 1.00 21.77 C ATOM 602 O CYS A 40 44.697 -0.302 4.390 1.00 21.17 O ATOM 603 CB CYS A 40 44.857 -0.506 1.525 1.00 22.71 C ATOM 604 SG CYS A 40 45.342 -0.286 -0.214 1.00 23.00 S ATOM 605 HA CYS A 40 43.678 1.256 1.698 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.000 -1.179 1.553 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.694 -0.963 2.053 1.00 0.00 H ATOM 608 H CYS A 40 46.581 1.257 2.329 1.00 0.00 H ATOM 609 N LYS A 41 42.911 1.035 4.109 1.00 22.13 N ATOM 610 CA LYS A 41 42.377 0.681 5.418 1.00 20.07 C ATOM 611 C LYS A 41 42.050 -0.808 5.357 1.00 14.90 C ATOM 612 O LYS A 41 41.288 -1.244 4.499 1.00 16.10 O ATOM 613 CB LYS A 41 41.142 1.512 5.758 1.00 20.85 C ATOM 614 CG LYS A 41 40.697 1.373 7.206 1.00 25.03 C ATOM 615 CD LYS A 41 39.374 2.094 7.490 1.00 17.27 C ATOM 616 CE LYS A 41 38.974 1.898 8.953 1.00 24.18 C ATOM 617 NZ LYS A 41 37.593 2.384 9.286 1.00 32.81 N ATOM 618 HA LYS A 41 43.101 0.889 6.206 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.368 2.561 5.565 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.323 1.193 5.113 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.573 0.314 7.433 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.469 1.794 7.850 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.492 3.158 7.287 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.595 1.687 6.845 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.686 2.438 9.577 1.00 0.00 H ATOM 626 HE3 LYS A 41 39.026 0.834 9.182 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.528 3.402 9.086 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.897 1.870 8.708 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.401 2.215 10.294 1.00 0.00 H ATOM 630 H LYS A 41 42.426 1.740 3.518 1.00 0.00 H ATOM 631 N PRO A 42 42.669 -1.595 6.242 1.00 20.28 N ATOM 632 CA PRO A 42 42.656 -3.062 6.228 1.00 21.45 C ATOM 633 C PRO A 42 41.273 -3.693 6.442 1.00 21.84 C ATOM 634 O PRO A 42 40.947 -4.675 5.772 1.00 18.87 O ATOM 635 CB PRO A 42 43.565 -3.425 7.407 1.00 16.66 C ATOM 636 CG PRO A 42 44.383 -2.229 7.658 1.00 22.23 C ATOM 637 CD PRO A 42 43.512 -1.065 7.325 1.00 25.40 C ATOM 638 HA PRO A 42 42.973 -3.435 5.254 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.909 -0.766 8.183 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.103 -0.215 6.984 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.269 -2.235 7.023 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.687 -2.189 8.704 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.969 -3.670 8.286 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.199 -4.274 7.152 1.00 0.00 H ATOM 645 N VAL A 43 40.497 -3.161 7.383 1.00 17.08 N ATOM 646 CA VAL A 43 39.173 -3.708 7.701 1.00 14.14 C ATOM 647 C VAL A 43 38.181 -2.571 7.934 1.00 16.31 C ATOM 648 O VAL A 43 38.509 -1.574 8.585 1.00 13.69 O ATOM 649 CB VAL A 43 39.218 -4.587 8.976 1.00 20.83 C ATOM 650 CG1 VAL A 43 37.818 -5.080 9.355 1.00 26.20 C ATOM 651 CG2 VAL A 43 40.159 -5.763 8.779 1.00 21.32 C ATOM 652 HA VAL A 43 38.859 -4.321 6.856 1.00 0.00 H ATOM 653 HB VAL A 43 39.594 -3.973 9.795 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.171 -4.223 9.544 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.409 -5.672 8.537 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.881 -5.694 10.253 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.811 -6.369 7.943 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.162 -5.393 8.568 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.177 -6.368 9.685 1.00 0.00 H ATOM 660 H VAL A 43 40.839 -2.332 7.909 1.00 0.00 H ATOM 661 N ASN A 44 36.976 -2.711 7.392 1.00 15.79 N ATOM 662 CA ASN A 44 35.919 -1.720 7.616 1.00 12.06 C ATOM 663 C ASN A 44 34.533 -2.319 7.402 1.00 12.20 C ATOM 664 O ASN A 44 34.343 -3.144 6.513 1.00 14.56 O ATOM 665 CB ASN A 44 36.113 -0.494 6.721 1.00 12.42 C ATOM 666 CG ASN A 44 35.143 0.625 7.053 1.00 14.11 C ATOM 667 OD1 ASN A 44 35.272 1.286 8.081 1.00 14.59 O ATOM 668 ND2 ASN A 44 34.182 0.857 6.174 1.00 12.10 N ATOM 669 HA ASN A 44 35.991 -1.403 8.656 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.131 -0.125 6.849 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.963 -0.791 5.683 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.109 0.273 5.317 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.499 1.624 6.340 1.00 0.00 H ATOM 674 H ASN A 44 36.779 -3.541 6.797 1.00 0.00 H ATOM 675 N THR A 45 33.569 -1.905 8.220 1.00 12.13 N ATOM 676 CA THR A 45 32.215 -2.442 8.125 1.00 9.60 C ATOM 677 C THR A 45 31.197 -1.353 7.790 1.00 11.51 C ATOM 678 O THR A 45 31.199 -0.279 8.395 1.00 8.43 O ATOM 679 CB THR A 45 31.822 -3.177 9.427 1.00 8.74 C ATOM 680 OG1 THR A 45 32.714 -4.283 9.633 1.00 13.63 O ATOM 681 CG2 THR A 45 30.382 -3.682 9.359 1.00 12.18 C ATOM 682 HA THR A 45 32.207 -3.162 7.307 1.00 0.00 H ATOM 683 HB THR A 45 31.897 -2.477 10.259 1.00 0.00 H ATOM 684 HG1 THR A 45 32.648 -4.906 8.866 1.00 0.00 H ATOM 685 HG23 THR A 45 29.710 -2.839 9.203 1.00 0.00 H ATOM 686 HG21 THR A 45 30.284 -4.385 8.532 1.00 0.00 H ATOM 687 HG22 THR A 45 30.129 -4.182 10.294 1.00 0.00 H ATOM 688 H THR A 45 33.784 -1.186 8.940 1.00 0.00 H ATOM 689 N PHE A 46 30.336 -1.635 6.816 1.00 8.48 N ATOM 690 CA PHE A 46 29.238 -0.745 6.481 1.00 9.51 C ATOM 691 C PHE A 46 27.925 -1.323 7.001 1.00 9.76 C ATOM 692 O PHE A 46 27.694 -2.523 6.903 1.00 12.15 O ATOM 693 CB PHE A 46 29.164 -0.530 4.964 1.00 11.21 C ATOM 694 CG PHE A 46 30.314 0.276 4.417 1.00 10.43 C ATOM 695 CD1 PHE A 46 30.324 1.661 4.537 1.00 13.94 C ATOM 696 CD2 PHE A 46 31.387 -0.347 3.797 1.00 11.34 C ATOM 697 CE1 PHE A 46 31.377 2.411 4.039 1.00 9.52 C ATOM 698 CE2 PHE A 46 32.443 0.402 3.299 1.00 9.19 C ATOM 699 CZ PHE A 46 32.438 1.775 3.422 1.00 10.59 C ATOM 700 HA PHE A 46 29.411 0.221 6.955 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.162 -1.505 4.476 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.235 -0.008 4.734 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.401 -1.433 3.700 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.279 -0.097 2.809 1.00 0.00 H ATOM 705 HZ PHE A 46 33.271 2.360 3.032 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.369 3.497 4.133 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.492 2.164 5.030 1.00 0.00 H ATOM 708 H PHE A 46 30.452 -2.518 6.279 1.00 0.00 H ATOM 709 N VAL A 47 27.082 -0.466 7.568 1.00 8.02 N ATOM 710 CA VAL A 47 25.796 -0.891 8.111 1.00 10.83 C ATOM 711 C VAL A 47 24.653 -0.421 7.206 1.00 9.60 C ATOM 712 O VAL A 47 24.556 0.764 6.887 1.00 12.45 O ATOM 713 CB VAL A 47 25.588 -0.376 9.562 1.00 9.40 C ATOM 714 CG1 VAL A 47 24.250 -0.872 10.135 1.00 9.66 C ATOM 715 CG2 VAL A 47 26.749 -0.827 10.453 1.00 8.31 C ATOM 716 HA VAL A 47 25.795 -1.980 8.145 1.00 0.00 H ATOM 717 HB VAL A 47 25.563 0.713 9.538 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.432 -0.508 9.513 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.242 -1.962 10.145 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.130 -0.497 11.151 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.796 -1.916 10.463 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.683 -0.425 10.061 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.591 -0.460 11.467 1.00 0.00 H ATOM 724 H VAL A 47 27.347 0.538 7.626 1.00 0.00 H ATOM 725 N HIS A 48 23.811 -1.363 6.784 1.00 11.63 N ATOM 726 CA HIS A 48 22.678 -1.069 5.900 1.00 14.14 C ATOM 727 C HIS A 48 21.371 -1.032 6.686 1.00 15.47 C ATOM 728 O HIS A 48 20.504 -1.896 6.515 1.00 14.70 O ATOM 729 CB HIS A 48 22.546 -2.130 4.807 1.00 11.87 C ATOM 730 CG HIS A 48 23.839 -2.480 4.130 1.00 17.33 C ATOM 731 ND1 HIS A 48 24.501 -1.613 3.286 1.00 17.69 N ATOM 732 CD2 HIS A 48 24.570 -3.617 4.149 1.00 15.63 C ATOM 733 CE1 HIS A 48 25.591 -2.198 2.826 1.00 23.33 C ATOM 734 NE2 HIS A 48 25.657 -3.417 3.333 1.00 17.56 N ATOM 735 HA HIS A 48 22.869 -0.095 5.449 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.139 -3.036 5.257 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.854 -1.759 4.051 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.340 -4.524 4.708 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.314 -1.752 2.144 1.00 0.00 H ATOM 740 H HIS A 48 23.963 -2.344 7.093 1.00 0.00 H ATOM 741 N GLU A 49 21.252 -0.050 7.568 1.00 13.01 N ATOM 742 CA GLU A 49 20.040 0.181 8.340 1.00 11.30 C ATOM 743 C GLU A 49 19.915 1.680 8.387 1.00 8.44 C ATOM 744 O GLU A 49 20.847 2.385 8.007 1.00 13.40 O ATOM 745 CB GLU A 49 20.179 -0.365 9.770 1.00 13.75 C ATOM 746 CG GLU A 49 20.451 -1.856 9.855 1.00 9.64 C ATOM 747 CD GLU A 49 19.262 -2.712 9.415 1.00 14.08 C ATOM 748 OE1 GLU A 49 18.125 -2.185 9.344 1.00 18.96 O ATOM 749 OE2 GLU A 49 19.473 -3.913 9.138 1.00 13.83 O ATOM 750 HA GLU A 49 19.176 -0.315 7.897 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.002 0.159 10.255 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.252 -0.157 10.305 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.302 -2.090 9.216 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.695 -2.106 10.888 1.00 0.00 H ATOM 755 H GLU A 49 22.062 0.585 7.715 1.00 0.00 H ATOM 756 N SER A 50 18.781 2.178 8.859 1.00 11.67 N ATOM 757 CA SER A 50 18.570 3.612 8.911 1.00 14.42 C ATOM 758 C SER A 50 19.509 4.234 9.927 1.00 12.59 C ATOM 759 O SER A 50 19.895 3.588 10.892 1.00 11.30 O ATOM 760 CB SER A 50 17.119 3.928 9.263 1.00 13.27 C ATOM 761 OG SER A 50 16.836 3.639 10.620 1.00 13.40 O ATOM 762 HA SER A 50 18.782 4.034 7.929 1.00 0.00 H ATOM 763 HB2 SER A 50 16.463 3.331 8.630 1.00 0.00 H ATOM 764 HB3 SER A 50 16.933 4.986 9.080 1.00 0.00 H ATOM 765 HG SER A 50 15.889 3.856 10.812 1.00 0.00 H ATOM 766 H SER A 50 18.036 1.535 9.195 1.00 0.00 H ATOM 767 N LEU A 51 19.890 5.484 9.702 1.00 10.94 N ATOM 768 CA LEU A 51 20.683 6.208 10.681 1.00 12.62 C ATOM 769 C LEU A 51 19.995 6.215 12.046 1.00 14.16 C ATOM 770 O LEU A 51 20.656 6.100 13.078 1.00 12.60 O ATOM 771 CB LEU A 51 20.948 7.638 10.218 1.00 16.16 C ATOM 772 CG LEU A 51 21.739 8.494 11.205 1.00 16.41 C ATOM 773 CD1 LEU A 51 23.126 7.893 11.441 1.00 13.30 C ATOM 774 CD2 LEU A 51 21.848 9.924 10.710 1.00 21.22 C ATOM 775 HA LEU A 51 21.639 5.693 10.779 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.507 7.594 9.283 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.987 8.122 10.043 1.00 0.00 H ATOM 778 HG LEU A 51 21.204 8.506 12.155 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.357 9.936 9.746 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.849 10.346 10.599 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.415 10.514 11.430 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.020 6.887 11.848 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.667 7.849 10.496 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.675 8.516 12.147 1.00 0.00 H ATOM 785 H LEU A 51 19.618 5.952 8.814 1.00 0.00 H ATOM 786 N ALA A 52 18.671 6.344 12.056 1.00 13.88 N ATOM 787 CA ALA A 52 17.940 6.336 13.320 1.00 12.68 C ATOM 788 C ALA A 52 18.113 5.003 14.058 1.00 10.31 C ATOM 789 O ALA A 52 18.346 4.979 15.274 1.00 11.87 O ATOM 790 CB ALA A 52 16.457 6.638 13.081 1.00 20.06 C ATOM 791 HA ALA A 52 18.356 7.119 13.954 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.357 7.620 12.619 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.035 5.880 12.421 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.927 6.628 14.034 1.00 0.00 H ATOM 795 H ALA A 52 18.154 6.451 11.160 1.00 0.00 H ATOM 796 N ASP A 53 17.994 3.899 13.322 1.00 12.00 N ATOM 797 CA ASP A 53 18.145 2.564 13.903 1.00 10.28 C ATOM 798 C ASP A 53 19.545 2.342 14.510 1.00 15.48 C ATOM 799 O ASP A 53 19.682 1.744 15.587 1.00 11.34 O ATOM 800 CB ASP A 53 17.841 1.481 12.860 1.00 9.17 C ATOM 801 CG ASP A 53 16.355 1.161 12.760 1.00 16.14 C ATOM 802 OD1 ASP A 53 15.558 1.846 13.426 1.00 15.12 O ATOM 803 OD2 ASP A 53 15.986 0.227 12.013 1.00 17.25 O ATOM 804 HA ASP A 53 17.423 2.490 14.716 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.190 1.826 11.887 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.376 0.572 13.135 1.00 0.00 H ATOM 807 H ASP A 53 17.788 3.988 12.306 1.00 0.00 H ATOM 808 N VAL A 54 20.582 2.803 13.813 1.00 11.37 N ATOM 809 CA VAL A 54 21.950 2.644 14.313 1.00 7.85 C ATOM 810 C VAL A 54 22.204 3.583 15.495 1.00 9.82 C ATOM 811 O VAL A 54 22.800 3.193 16.497 1.00 6.13 O ATOM 812 CB VAL A 54 22.970 2.858 13.189 1.00 10.33 C ATOM 813 CG1 VAL A 54 24.413 2.765 13.725 1.00 11.47 C ATOM 814 CG2 VAL A 54 22.728 1.828 12.090 1.00 6.20 C ATOM 815 HA VAL A 54 22.071 1.622 14.672 1.00 0.00 H ATOM 816 HB VAL A 54 22.842 3.859 12.777 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.566 3.530 14.487 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.575 1.779 14.161 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.114 2.921 12.905 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.842 0.825 12.502 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.719 1.948 11.697 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.452 1.977 11.289 1.00 0.00 H ATOM 823 H VAL A 54 20.419 3.281 12.904 1.00 0.00 H ATOM 824 N GLN A 55 21.723 4.816 15.387 1.00 10.87 N ATOM 825 CA GLN A 55 21.832 5.761 16.488 1.00 10.85 C ATOM 826 C GLN A 55 21.133 5.220 17.737 1.00 8.77 C ATOM 827 O GLN A 55 21.602 5.430 18.856 1.00 12.71 O ATOM 828 CB GLN A 55 21.237 7.113 16.092 1.00 12.79 C ATOM 829 CG GLN A 55 22.124 7.945 15.164 1.00 12.36 C ATOM 830 CD GLN A 55 21.443 9.239 14.719 1.00 16.67 C ATOM 831 OE1 GLN A 55 20.208 9.330 14.686 1.00 13.14 O ATOM 832 NE2 GLN A 55 22.246 10.239 14.371 1.00 10.67 N ATOM 833 HA GLN A 55 22.889 5.898 16.717 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.288 6.934 15.587 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.060 7.688 17.001 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.045 8.196 15.690 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.362 7.352 14.281 1.00 0.00 H ATOM 838 HE22 GLN A 55 23.278 10.117 14.415 1.00 0.00 H ATOM 839 HE21 GLN A 55 21.843 11.144 14.055 1.00 0.00 H ATOM 840 H GLN A 55 21.262 5.110 14.503 1.00 0.00 H ATOM 841 N ALA A 56 20.032 4.508 17.538 1.00 9.48 N ATOM 842 CA ALA A 56 19.274 3.936 18.653 1.00 11.13 C ATOM 843 C ALA A 56 20.102 2.924 19.453 1.00 8.21 C ATOM 844 O ALA A 56 19.852 2.724 20.638 1.00 10.27 O ATOM 845 CB ALA A 56 18.000 3.285 18.147 1.00 13.04 C ATOM 846 HA ALA A 56 19.018 4.755 19.325 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.386 4.033 17.646 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.253 2.491 17.445 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.449 2.865 18.989 1.00 0.00 H ATOM 850 H ALA A 56 19.698 4.352 16.565 1.00 0.00 H ATOM 851 N VAL A 57 21.079 2.291 18.805 1.00 7.48 N ATOM 852 CA VAL A 57 21.944 1.313 19.484 1.00 8.29 C ATOM 853 C VAL A 57 22.630 1.905 20.723 1.00 8.82 C ATOM 854 O VAL A 57 22.905 1.182 21.686 1.00 6.70 O ATOM 855 CB VAL A 57 22.970 0.667 18.510 1.00 8.04 C ATOM 856 CG1 VAL A 57 23.894 -0.344 19.236 1.00 4.38 C ATOM 857 CG2 VAL A 57 22.228 -0.017 17.386 1.00 7.85 C ATOM 858 HA VAL A 57 21.291 0.514 19.837 1.00 0.00 H ATOM 859 HB VAL A 57 23.605 1.457 18.109 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.445 0.170 20.023 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.289 -1.138 19.673 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.595 -0.772 18.520 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.579 -0.789 17.798 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.627 0.717 16.850 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.945 -0.471 16.702 1.00 0.00 H ATOM 866 H VAL A 57 21.234 2.493 17.797 1.00 0.00 H ATOM 867 N CYS A 58 22.862 3.219 20.720 1.00 4.88 N ATOM 868 CA CYS A 58 23.504 3.881 21.862 1.00 9.44 C ATOM 869 C CYS A 58 22.690 3.834 23.159 1.00 11.04 C ATOM 870 O CYS A 58 23.183 4.231 24.214 1.00 7.34 O ATOM 871 CB CYS A 58 23.839 5.337 21.543 1.00 6.90 C ATOM 872 SG CYS A 58 25.135 5.510 20.320 1.00 9.57 S ATOM 873 HA CYS A 58 24.415 3.308 22.032 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.161 5.828 22.461 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.940 5.825 21.167 1.00 0.00 H ATOM 876 H CYS A 58 22.583 3.785 19.893 1.00 0.00 H ATOM 877 N SER A 59 21.452 3.368 23.086 1.00 8.73 N ATOM 878 CA SER A 59 20.652 3.208 24.299 1.00 15.73 C ATOM 879 C SER A 59 20.204 1.761 24.479 1.00 11.44 C ATOM 880 O SER A 59 19.322 1.466 25.295 1.00 10.85 O ATOM 881 CB SER A 59 19.448 4.155 24.286 1.00 19.88 C ATOM 882 OG SER A 59 18.579 3.843 23.209 1.00 26.11 O ATOM 883 HA SER A 59 21.281 3.469 25.150 1.00 0.00 H ATOM 884 HB2 SER A 59 19.800 5.181 24.177 1.00 0.00 H ATOM 885 HB3 SER A 59 18.904 4.057 25.226 1.00 0.00 H ATOM 886 HG SER A 59 18.255 2.913 23.307 1.00 0.00 H ATOM 887 H SER A 59 21.048 3.115 22.162 1.00 0.00 H ATOM 888 N GLN A 60 20.838 0.864 23.726 1.00 8.03 N ATOM 889 CA GLN A 60 20.586 -0.573 23.823 1.00 11.72 C ATOM 890 C GLN A 60 21.564 -1.289 24.789 1.00 11.76 C ATOM 891 O GLN A 60 21.848 -0.758 25.860 1.00 10.78 O ATOM 892 CB GLN A 60 20.485 -1.185 22.416 1.00 7.00 C ATOM 893 CG GLN A 60 19.332 -0.504 21.657 1.00 11.41 C ATOM 894 CD GLN A 60 19.066 -0.998 20.243 1.00 7.56 C ATOM 895 OE1 GLN A 60 19.613 -2.004 19.787 1.00 7.14 O ATOM 896 NE2 GLN A 60 18.213 -0.264 19.530 1.00 10.85 N ATOM 897 HA GLN A 60 19.616 -0.734 24.294 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.421 -1.026 21.880 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.290 -2.254 22.495 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.421 -0.651 22.237 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.556 0.561 21.599 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.773 0.578 19.952 1.00 0.00 H ATOM 903 HE21 GLN A 60 17.987 -0.533 18.551 1.00 0.00 H ATOM 904 H GLN A 60 21.543 1.200 23.039 1.00 0.00 H ATOM 905 N LYS A 61 22.060 -2.475 24.446 1.00 6.66 N ATOM 906 CA LYS A 61 22.784 -3.279 25.439 1.00 11.37 C ATOM 907 C LYS A 61 24.200 -2.769 25.707 1.00 10.08 C ATOM 908 O LYS A 61 25.049 -2.849 24.839 1.00 10.03 O ATOM 909 CB LYS A 61 22.846 -4.749 25.012 1.00 7.67 C ATOM 910 CG LYS A 61 23.544 -5.638 26.029 1.00 10.43 C ATOM 911 CD LYS A 61 23.770 -7.049 25.509 1.00 13.56 C ATOM 912 CE LYS A 61 24.317 -7.920 26.641 1.00 27.80 C ATOM 913 NZ LYS A 61 24.476 -9.349 26.269 1.00 30.67 N ATOM 914 HA LYS A 61 22.220 -3.186 26.367 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.828 -5.113 24.874 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.385 -4.813 24.067 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.510 -5.197 26.275 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.930 -5.690 26.928 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.826 -7.463 25.154 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.487 -7.025 24.688 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.631 -7.858 27.486 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.291 -7.530 26.936 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.552 -9.740 25.995 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.137 -9.426 25.470 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.850 -9.878 27.082 1.00 0.00 H ATOM 926 H LYS A 61 21.935 -2.832 23.477 1.00 0.00 H ATOM 927 N ASN A 62 24.454 -2.251 26.905 1.00 10.69 N ATOM 928 CA ASN A 62 25.802 -1.796 27.256 1.00 10.81 C ATOM 929 C ASN A 62 26.761 -2.990 27.395 1.00 15.35 C ATOM 930 O ASN A 62 26.481 -3.947 28.133 1.00 10.52 O ATOM 931 CB ASN A 62 25.751 -0.954 28.539 1.00 11.00 C ATOM 932 CG ASN A 62 27.067 -0.238 28.852 1.00 13.61 C ATOM 933 OD1 ASN A 62 27.336 0.071 30.009 1.00 12.49 O ATOM 934 ND2 ASN A 62 27.876 0.041 27.833 1.00 7.19 N ATOM 935 HA ASN A 62 26.187 -1.167 26.454 1.00 0.00 H ATOM 936 HB2 ASN A 62 24.968 -0.204 28.429 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.508 -1.611 29.374 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.611 -0.238 26.867 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.773 0.538 28.003 1.00 0.00 H ATOM 940 H ASN A 62 23.686 -2.168 27.602 1.00 0.00 H ATOM 941 N VAL A 63 27.870 -2.945 26.653 1.00 6.54 N ATOM 942 CA VAL A 63 28.888 -3.990 26.700 1.00 7.16 C ATOM 943 C VAL A 63 30.282 -3.359 26.721 1.00 9.48 C ATOM 944 O VAL A 63 30.448 -2.201 26.334 1.00 8.77 O ATOM 945 CB VAL A 63 28.794 -4.948 25.493 1.00 8.34 C ATOM 946 CG1 VAL A 63 27.426 -5.656 25.438 1.00 7.12 C ATOM 947 CG2 VAL A 63 29.069 -4.204 24.185 1.00 6.75 C ATOM 948 HA VAL A 63 28.715 -4.567 27.609 1.00 0.00 H ATOM 949 HB VAL A 63 29.559 -5.714 25.622 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.281 -6.235 26.350 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.636 -4.910 25.350 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.397 -6.322 24.575 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.335 -3.408 24.060 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.071 -3.775 24.216 1.00 0.00 H ATOM 955 HG23 VAL A 63 28.997 -4.901 23.350 1.00 0.00 H ATOM 956 H VAL A 63 28.014 -2.135 26.017 1.00 0.00 H ATOM 957 N ALA A 64 31.277 -4.100 27.196 1.00 5.89 N ATOM 958 CA ALA A 64 32.658 -3.613 27.182 1.00 9.43 C ATOM 959 C ALA A 64 33.190 -3.456 25.751 1.00 7.93 C ATOM 960 O ALA A 64 32.960 -4.308 24.897 1.00 5.60 O ATOM 961 CB ALA A 64 33.572 -4.548 27.994 1.00 6.96 C ATOM 962 HA ALA A 64 32.661 -2.627 27.647 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.223 -4.590 29.026 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.545 -5.547 27.559 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.593 -4.167 27.970 1.00 0.00 H ATOM 966 H ALA A 64 31.072 -5.043 27.585 1.00 0.00 H ATOM 967 N CYS A 65 33.902 -2.363 25.493 1.00 8.01 N ATOM 968 CA CYS A 65 34.574 -2.180 24.208 1.00 5.40 C ATOM 969 C CYS A 65 35.825 -3.029 24.172 1.00 7.51 C ATOM 970 O CYS A 65 36.376 -3.356 25.219 1.00 8.59 O ATOM 971 CB CYS A 65 34.996 -0.725 24.016 1.00 9.63 C ATOM 972 SG CYS A 65 33.666 0.470 24.113 1.00 9.63 S ATOM 973 HA CYS A 65 33.878 -2.468 23.420 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.461 -0.635 23.034 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.727 -0.481 24.787 1.00 0.00 H ATOM 976 H CYS A 65 33.982 -1.624 26.220 1.00 0.00 H ATOM 977 N LYS A 66 36.293 -3.341 22.964 1.00 8.46 N ATOM 978 CA LYS A 66 37.536 -4.100 22.788 1.00 7.82 C ATOM 979 C LYS A 66 38.737 -3.439 23.479 1.00 8.59 C ATOM 980 O LYS A 66 39.608 -4.130 24.005 1.00 10.27 O ATOM 981 CB LYS A 66 37.815 -4.334 21.297 1.00 9.74 C ATOM 982 CG LYS A 66 37.000 -5.471 20.684 1.00 9.31 C ATOM 983 CD LYS A 66 37.127 -5.475 19.168 1.00 12.85 C ATOM 984 CE LYS A 66 36.414 -6.656 18.530 1.00 19.46 C ATOM 985 NZ LYS A 66 36.426 -6.543 17.035 1.00 19.61 N ATOM 986 HA LYS A 66 37.394 -5.065 23.275 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.584 -3.416 20.756 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.873 -4.568 21.178 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.363 -6.422 21.075 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.952 -5.345 20.954 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.696 -4.553 18.778 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.184 -5.520 18.905 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.381 -6.681 18.878 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.917 -7.578 18.823 1.00 0.00 H ATOM 995 HZ1 LYS A 66 35.943 -5.667 16.751 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.410 -6.523 16.698 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.933 -7.361 16.623 1.00 0.00 H ATOM 998 H LYS A 66 35.762 -3.038 22.123 1.00 0.00 H ATOM 999 N ASN A 67 38.766 -2.110 23.518 1.00 11.11 N ATOM 1000 CA ASN A 67 39.873 -1.407 24.179 1.00 16.04 C ATOM 1001 C ASN A 67 39.713 -1.283 25.704 1.00 14.14 C ATOM 1002 O ASN A 67 40.526 -0.633 26.367 1.00 16.19 O ATOM 1003 CB ASN A 67 40.114 -0.025 23.544 1.00 15.46 C ATOM 1004 CG ASN A 67 38.960 0.940 23.763 1.00 12.67 C ATOM 1005 OD1 ASN A 67 38.010 0.649 24.486 1.00 15.14 O ATOM 1006 ND2 ASN A 67 39.046 2.109 23.137 1.00 18.12 N ATOM 1007 HA ASN A 67 40.751 -2.032 24.018 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.015 0.406 23.981 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.259 -0.156 22.472 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.867 2.317 22.534 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.292 2.816 23.250 1.00 0.00 H ATOM 1012 H ASN A 67 37.999 -1.564 23.077 1.00 0.00 H ATOM 1013 N GLY A 68 38.658 -1.881 26.251 1.00 10.01 N ATOM 1014 CA GLY A 68 38.425 -1.849 27.687 1.00 9.65 C ATOM 1015 C GLY A 68 37.568 -0.707 28.212 1.00 13.10 C ATOM 1016 O GLY A 68 37.221 -0.678 29.400 1.00 8.97 O ATOM 1017 HA3 GLY A 68 39.396 -1.788 28.179 1.00 0.00 H ATOM 1018 HA2 GLY A 68 37.937 -2.784 27.964 1.00 0.00 H ATOM 1019 H GLY A 68 37.984 -2.383 25.638 1.00 0.00 H ATOM 1020 N GLN A 69 37.234 0.244 27.347 1.00 11.28 N ATOM 1021 CA GLN A 69 36.333 1.321 27.734 1.00 11.01 C ATOM 1022 C GLN A 69 34.936 0.736 27.879 1.00 12.16 C ATOM 1023 O GLN A 69 34.663 -0.357 27.377 1.00 9.41 O ATOM 1024 CB GLN A 69 36.326 2.427 26.670 1.00 12.14 C ATOM 1025 CG GLN A 69 37.630 3.201 26.569 1.00 16.28 C ATOM 1026 CD GLN A 69 37.964 3.932 27.853 1.00 14.35 C ATOM 1027 OE1 GLN A 69 38.786 3.471 28.644 1.00 18.90 O ATOM 1028 NE2 GLN A 69 37.321 5.074 28.071 1.00 14.84 N ATOM 1029 HA GLN A 69 36.664 1.760 28.675 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.124 1.969 25.702 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.529 3.130 26.912 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.436 2.503 26.343 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.544 3.929 25.762 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.634 5.425 27.374 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.505 5.617 28.939 1.00 0.00 H ATOM 1036 H GLN A 69 37.620 0.219 26.382 1.00 0.00 H ATOM 1037 N THR A 70 34.053 1.456 28.564 1.00 11.92 N ATOM 1038 CA THR A 70 32.729 0.930 28.901 1.00 9.47 C ATOM 1039 C THR A 70 31.587 1.541 28.095 1.00 8.19 C ATOM 1040 O THR A 70 30.416 1.278 28.377 1.00 12.54 O ATOM 1041 CB THR A 70 32.416 1.141 30.402 1.00 13.29 C ATOM 1042 OG1 THR A 70 32.495 2.536 30.706 1.00 19.87 O ATOM 1043 CG2 THR A 70 33.412 0.397 31.260 1.00 18.09 C ATOM 1044 HA THR A 70 32.784 -0.130 28.651 1.00 0.00 H ATOM 1045 HB THR A 70 31.415 0.762 30.609 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.837 3.030 30.156 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.359 -0.668 31.035 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.416 0.765 31.050 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.177 0.560 32.312 1.00 0.00 H ATOM 1050 H THR A 70 34.309 2.417 28.868 1.00 0.00 H ATOM 1051 N ASN A 71 31.916 2.349 27.094 1.00 6.44 N ATOM 1052 CA ASN A 71 30.895 3.081 26.358 1.00 9.04 C ATOM 1053 C ASN A 71 30.473 2.389 25.057 1.00 9.63 C ATOM 1054 O ASN A 71 30.160 3.055 24.077 1.00 8.64 O ATOM 1055 CB ASN A 71 31.354 4.533 26.077 1.00 6.12 C ATOM 1056 CG ASN A 71 32.590 4.601 25.197 1.00 12.28 C ATOM 1057 OD1 ASN A 71 33.579 3.904 25.431 1.00 10.14 O ATOM 1058 ND2 ASN A 71 32.533 5.430 24.156 1.00 8.99 N ATOM 1059 HA ASN A 71 30.013 3.101 26.999 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.543 5.065 25.580 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.576 5.018 27.027 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.680 6.002 23.993 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.342 5.506 23.507 1.00 0.00 H ATOM 1064 H ASN A 71 32.916 2.460 26.832 1.00 0.00 H ATOM 1065 N CYS A 72 30.478 1.059 25.037 1.00 7.17 N ATOM 1066 CA CYS A 72 30.031 0.345 23.839 1.00 6.17 C ATOM 1067 C CYS A 72 28.646 -0.256 24.042 1.00 5.97 C ATOM 1068 O CYS A 72 28.242 -0.546 25.175 1.00 6.25 O ATOM 1069 CB CYS A 72 31.042 -0.710 23.402 1.00 8.19 C ATOM 1070 SG CYS A 72 32.460 0.004 22.553 1.00 6.91 S ATOM 1071 HA CYS A 72 29.959 1.073 23.031 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.548 -1.411 22.729 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.395 -1.243 24.285 1.00 0.00 H ATOM 1074 H CYS A 72 30.799 0.527 25.871 1.00 0.00 H ATOM 1075 N TYR A 73 27.921 -0.411 22.938 1.00 5.49 N ATOM 1076 CA TYR A 73 26.527 -0.851 22.965 1.00 8.02 C ATOM 1077 C TYR A 73 26.282 -1.849 21.837 1.00 7.75 C ATOM 1078 O TYR A 73 26.697 -1.635 20.690 1.00 5.29 O ATOM 1079 CB TYR A 73 25.569 0.355 22.880 1.00 6.71 C ATOM 1080 CG TYR A 73 25.778 1.310 24.038 1.00 8.71 C ATOM 1081 CD1 TYR A 73 26.780 2.271 23.993 1.00 10.28 C ATOM 1082 CD2 TYR A 73 25.013 1.215 25.199 1.00 10.65 C ATOM 1083 CE1 TYR A 73 27.012 3.121 25.060 1.00 10.57 C ATOM 1084 CE2 TYR A 73 25.243 2.065 26.276 1.00 9.64 C ATOM 1085 CZ TYR A 73 26.246 3.013 26.197 1.00 12.79 C ATOM 1086 OH TYR A 73 26.495 3.880 27.255 1.00 24.69 O ATOM 1087 HA TYR A 73 26.327 -1.351 23.913 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.541 -0.006 22.899 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.749 0.886 21.945 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.225 0.465 25.264 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.636 1.984 27.177 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.799 3.873 25.000 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.397 2.357 23.098 1.00 0.00 H ATOM 1094 HH TYR A 73 27.244 4.483 27.017 1.00 0.00 H ATOM 1095 H TYR A 73 28.363 -0.211 22.018 1.00 0.00 H ATOM 1096 N GLN A 74 25.628 -2.953 22.177 1.00 6.37 N ATOM 1097 CA GLN A 74 25.337 -4.001 21.207 1.00 6.51 C ATOM 1098 C GLN A 74 23.866 -3.950 20.794 1.00 7.16 C ATOM 1099 O GLN A 74 22.981 -3.808 21.644 1.00 7.34 O ATOM 1100 CB GLN A 74 25.662 -5.360 21.824 1.00 7.89 C ATOM 1101 CG GLN A 74 25.386 -6.547 20.912 1.00 7.88 C ATOM 1102 CD GLN A 74 25.869 -7.848 21.535 1.00 12.58 C ATOM 1103 OE1 GLN A 74 26.998 -7.929 22.018 1.00 15.51 O ATOM 1104 NE2 GLN A 74 25.005 -8.859 21.553 1.00 12.41 N ATOM 1105 HA GLN A 74 25.949 -3.848 20.318 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.720 -5.371 22.088 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.063 -5.477 22.727 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.313 -6.616 20.733 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.902 -6.394 19.964 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.061 -8.744 21.132 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.273 -9.765 21.988 1.00 0.00 H ATOM 1112 H GLN A 74 25.315 -3.073 23.161 1.00 0.00 H ATOM 1113 N SER A 75 23.597 -4.037 19.496 1.00 10.00 N ATOM 1114 CA SER A 75 22.215 -3.955 19.024 1.00 10.48 C ATOM 1115 C SER A 75 21.397 -5.162 19.502 1.00 10.45 C ATOM 1116 O SER A 75 21.902 -6.284 19.524 1.00 6.70 O ATOM 1117 CB SER A 75 22.168 -3.837 17.492 1.00 6.40 C ATOM 1118 OG SER A 75 22.701 -4.984 16.869 1.00 7.27 O ATOM 1119 HA SER A 75 21.768 -3.056 19.449 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.747 -2.966 17.186 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.132 -3.712 17.178 1.00 0.00 H ATOM 1122 HG SER A 75 22.176 -5.779 17.139 1.00 0.00 H ATOM 1123 H SER A 75 24.371 -4.164 18.813 1.00 0.00 H ATOM 1124 N TYR A 76 20.144 -4.918 19.893 1.00 9.83 N ATOM 1125 CA TYR A 76 19.233 -5.984 20.324 1.00 13.86 C ATOM 1126 C TYR A 76 18.825 -6.896 19.163 1.00 12.24 C ATOM 1127 O TYR A 76 18.584 -8.089 19.344 1.00 17.02 O ATOM 1128 CB TYR A 76 17.982 -5.382 20.995 1.00 10.33 C ATOM 1129 CG TYR A 76 18.255 -4.808 22.369 1.00 13.19 C ATOM 1130 CD1 TYR A 76 18.982 -5.530 23.310 1.00 8.97 C ATOM 1131 CD2 TYR A 76 17.788 -3.546 22.725 1.00 8.28 C ATOM 1132 CE1 TYR A 76 19.234 -5.015 24.569 1.00 9.03 C ATOM 1133 CE2 TYR A 76 18.047 -3.019 23.987 1.00 11.64 C ATOM 1134 CZ TYR A 76 18.776 -3.759 24.900 1.00 8.81 C ATOM 1135 OH TYR A 76 19.047 -3.247 26.161 1.00 14.16 O ATOM 1136 HA TYR A 76 19.769 -6.597 21.048 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.230 -6.165 21.090 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.597 -4.586 20.358 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.212 -2.963 22.006 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.677 -2.029 24.254 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.794 -5.602 25.297 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.360 -6.519 23.051 1.00 0.00 H ATOM 1143 HH TYR A 76 19.575 -3.907 26.677 1.00 0.00 H ATOM 1144 H TYR A 76 19.801 -3.936 19.892 1.00 0.00 H ATOM 1145 N SER A 77 18.761 -6.334 17.967 1.00 12.94 N ATOM 1146 CA SER A 77 18.421 -7.110 16.778 1.00 14.94 C ATOM 1147 C SER A 77 19.611 -7.222 15.828 1.00 14.15 C ATOM 1148 O SER A 77 20.537 -6.405 15.886 1.00 11.78 O ATOM 1149 CB SER A 77 17.240 -6.457 16.064 1.00 17.68 C ATOM 1150 OG SER A 77 16.142 -6.310 16.954 1.00 23.15 O ATOM 1151 HA SER A 77 18.149 -8.118 17.091 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.939 -7.081 15.222 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.540 -5.475 15.698 1.00 0.00 H ATOM 1154 HG SER A 77 15.386 -5.886 16.476 1.00 0.00 H ATOM 1155 H SER A 77 18.957 -5.317 17.872 1.00 0.00 H ATOM 1156 N THR A 78 19.607 -8.235 14.967 1.00 14.99 N ATOM 1157 CA THR A 78 20.647 -8.315 13.949 1.00 14.70 C ATOM 1158 C THR A 78 20.432 -7.168 12.968 1.00 13.74 C ATOM 1159 O THR A 78 19.328 -6.639 12.846 1.00 12.83 O ATOM 1160 CB THR A 78 20.641 -9.652 13.173 1.00 14.87 C ATOM 1161 OG1 THR A 78 19.415 -9.775 12.446 1.00 24.43 O ATOM 1162 CG2 THR A 78 20.821 -10.844 14.117 1.00 14.66 C ATOM 1163 HA THR A 78 21.612 -8.250 14.452 1.00 0.00 H ATOM 1164 HB THR A 78 21.480 -9.652 12.477 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.334 -9.022 11.808 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.758 -10.735 14.663 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.990 -10.876 14.822 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.842 -11.766 13.536 1.00 0.00 H ATOM 1169 H THR A 78 18.868 -8.965 15.019 1.00 0.00 H ATOM 1170 N MET A 79 21.498 -6.774 12.282 1.00 13.73 N ATOM 1171 CA MET A 79 21.412 -5.714 11.300 1.00 13.88 C ATOM 1172 C MET A 79 22.127 -6.159 10.039 1.00 9.77 C ATOM 1173 O MET A 79 23.068 -6.958 10.105 1.00 13.05 O ATOM 1174 CB MET A 79 22.057 -4.439 11.853 1.00 11.60 C ATOM 1175 CG MET A 79 21.257 -3.770 12.958 1.00 12.68 C ATOM 1176 SD MET A 79 21.968 -2.165 13.355 1.00 12.58 S ATOM 1177 CE MET A 79 20.715 -1.465 14.414 1.00 9.15 C ATOM 1178 HA MET A 79 20.367 -5.502 11.072 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.040 -4.696 12.248 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.170 -3.729 11.034 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.272 -4.401 13.847 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.227 -3.636 12.627 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.775 -1.395 13.866 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.581 -2.103 15.287 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.026 -0.470 14.734 1.00 0.00 H ATOM 1186 H MET A 79 22.414 -7.236 12.454 1.00 0.00 H ATOM 1187 N SER A 80 21.677 -5.659 8.893 1.00 9.36 N ATOM 1188 CA SER A 80 22.326 -5.957 7.618 1.00 13.02 C ATOM 1189 C SER A 80 23.638 -5.194 7.530 1.00 10.86 C ATOM 1190 O SER A 80 23.651 -3.971 7.641 1.00 13.38 O ATOM 1191 CB SER A 80 21.428 -5.571 6.438 1.00 14.85 C ATOM 1192 OG SER A 80 22.132 -5.714 5.216 1.00 15.47 O ATOM 1193 HA SER A 80 22.513 -7.030 7.568 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.111 -4.534 6.551 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.551 -6.219 6.426 1.00 0.00 H ATOM 1196 HG SER A 80 21.540 -5.461 4.464 1.00 0.00 H ATOM 1197 H SER A 80 20.842 -5.040 8.904 1.00 0.00 H ATOM 1198 N ILE A 81 24.741 -5.914 7.342 1.00 11.97 N ATOM 1199 CA ILE A 81 26.052 -5.275 7.281 1.00 13.66 C ATOM 1200 C ILE A 81 26.922 -5.866 6.179 1.00 17.04 C ATOM 1201 O ILE A 81 26.679 -6.973 5.690 1.00 15.12 O ATOM 1202 CB ILE A 81 26.827 -5.389 8.622 1.00 10.87 C ATOM 1203 CG1 ILE A 81 27.106 -6.862 8.944 1.00 17.23 C ATOM 1204 CG2 ILE A 81 26.043 -4.712 9.754 1.00 9.44 C ATOM 1205 CD1 ILE A 81 28.216 -7.108 9.946 1.00 15.77 C ATOM 1206 HA ILE A 81 25.851 -4.225 7.069 1.00 0.00 H ATOM 1207 HB ILE A 81 27.783 -4.874 8.525 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.190 -7.299 9.342 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.373 -7.365 8.015 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.148 -6.693 9.563 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.964 -6.627 10.891 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.332 -8.181 10.102 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.900 -3.658 9.515 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.073 -5.196 9.862 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.602 -4.802 10.686 1.00 0.00 H ATOM 1216 H ILE A 81 24.668 -6.946 7.237 1.00 0.00 H ATOM 1217 N THR A 82 27.943 -5.115 5.791 1.00 14.73 N ATOM 1218 CA THR A 82 28.917 -5.627 4.845 1.00 13.04 C ATOM 1219 C THR A 82 30.303 -5.436 5.426 1.00 12.70 C ATOM 1220 O THR A 82 30.679 -4.316 5.770 1.00 11.78 O ATOM 1221 CB THR A 82 28.827 -4.897 3.506 1.00 12.91 C ATOM 1222 OG1 THR A 82 27.503 -5.041 2.971 1.00 15.99 O ATOM 1223 CG2 THR A 82 29.855 -5.470 2.524 1.00 9.68 C ATOM 1224 HA THR A 82 28.713 -6.683 4.670 1.00 0.00 H ATOM 1225 HB THR A 82 29.041 -3.839 3.658 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.848 -4.653 3.604 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.856 -5.356 2.940 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.648 -6.527 2.359 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.790 -4.933 1.578 1.00 0.00 H ATOM 1230 H THR A 82 28.047 -4.151 6.168 1.00 0.00 H ATOM 1231 N ASP A 83 31.053 -6.526 5.562 1.00 13.00 N ATOM 1232 CA ASP A 83 32.446 -6.429 5.982 1.00 16.37 C ATOM 1233 C ASP A 83 33.333 -6.285 4.762 1.00 17.65 C ATOM 1234 O ASP A 83 33.119 -6.968 3.749 1.00 13.78 O ATOM 1235 CB ASP A 83 32.882 -7.661 6.784 1.00 15.96 C ATOM 1236 CG ASP A 83 32.300 -7.680 8.187 1.00 36.13 C ATOM 1237 OD1 ASP A 83 32.427 -6.664 8.904 1.00 25.40 O ATOM 1238 OD2 ASP A 83 31.707 -8.710 8.573 1.00 36.27 O ATOM 1239 HA ASP A 83 32.543 -5.554 6.625 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.552 -8.556 6.257 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.970 -7.664 6.857 1.00 0.00 H ATOM 1242 H ASP A 83 30.640 -7.460 5.366 1.00 0.00 H ATOM 1243 N CYS A 84 34.325 -5.397 4.863 1.00 14.19 N ATOM 1244 CA CYS A 84 35.344 -5.256 3.830 1.00 12.61 C ATOM 1245 C CYS A 84 36.713 -5.585 4.414 1.00 18.17 C ATOM 1246 O CYS A 84 37.115 -5.032 5.437 1.00 16.52 O ATOM 1247 CB CYS A 84 35.334 -3.838 3.250 1.00 12.68 C ATOM 1248 SG CYS A 84 33.716 -3.273 2.646 1.00 13.29 S ATOM 1249 HA CYS A 84 35.125 -5.952 3.020 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.037 -3.807 2.417 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.665 -3.151 4.029 1.00 0.00 H ATOM 1252 H CYS A 84 34.372 -4.787 5.704 1.00 0.00 H ATOM 1253 N ARG A 85 37.421 -6.497 3.756 1.00 17.82 N ATOM 1254 CA ARG A 85 38.686 -7.010 4.245 1.00 18.17 C ATOM 1255 C ARG A 85 39.687 -6.990 3.105 1.00 19.28 C ATOM 1256 O ARG A 85 39.474 -7.627 2.071 1.00 20.07 O ATOM 1257 CB ARG A 85 38.500 -8.447 4.743 1.00 29.97 C ATOM 1258 CG ARG A 85 39.785 -9.242 4.929 1.00 36.86 C ATOM 1259 CD ARG A 85 40.391 -9.002 6.299 1.00 47.43 C ATOM 1260 NE ARG A 85 39.431 -9.286 7.365 1.00 53.73 N ATOM 1261 CZ ARG A 85 39.733 -9.306 8.660 1.00 48.01 C ATOM 1262 NH1 ARG A 85 38.793 -9.571 9.558 1.00 47.07 N ATOM 1263 NH2 ARG A 85 40.975 -9.061 9.058 1.00 50.29 N ATOM 1264 HA ARG A 85 39.046 -6.394 5.069 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.986 -8.407 5.703 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.878 -8.976 4.021 1.00 0.00 H ATOM 1267 HG2 ARG A 85 39.564 -10.304 4.819 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.502 -8.941 4.166 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.704 -7.960 6.371 1.00 0.00 H ATOM 1270 HD3 ARG A 85 41.259 -9.650 6.421 1.00 0.00 H ATOM 1271 HE ARG A 85 38.447 -9.485 7.092 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.031 -9.586 10.570 1.00 0.00 H ATOM 1273 HH11 ARG A 85 37.819 -9.763 9.250 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.209 -9.077 10.071 1.00 0.00 H ATOM 1275 HH21 ARG A 85 41.714 -8.853 8.357 1.00 0.00 H ATOM 1276 H ARG A 85 37.052 -6.858 2.853 1.00 0.00 H ATOM 1277 N GLU A 86 40.778 -6.258 3.298 1.00 19.16 N ATOM 1278 CA GLU A 86 41.782 -6.092 2.252 1.00 26.77 C ATOM 1279 C GLU A 86 42.380 -7.431 1.809 1.00 23.91 C ATOM 1280 O GLU A 86 42.785 -8.239 2.649 1.00 24.57 O ATOM 1281 CB GLU A 86 42.900 -5.160 2.718 1.00 19.24 C ATOM 1282 CG GLU A 86 43.906 -4.891 1.623 1.00 23.95 C ATOM 1283 CD GLU A 86 45.070 -4.030 2.059 1.00 22.35 C ATOM 1284 OE1 GLU A 86 45.717 -3.439 1.173 1.00 22.09 O ATOM 1285 OE2 GLU A 86 45.345 -3.956 3.273 1.00 23.96 O ATOM 1286 HA GLU A 86 41.274 -5.650 1.395 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.461 -4.213 3.033 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.413 -5.620 3.562 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.297 -5.846 1.274 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.395 -4.387 0.803 1.00 0.00 H ATOM 1291 H GLU A 86 40.920 -5.792 4.217 1.00 0.00 H ATOM 1292 N THR A 87 42.420 -7.655 0.495 1.00 19.40 N ATOM 1293 CA THR A 87 42.986 -8.883 -0.068 1.00 26.06 C ATOM 1294 C THR A 87 44.495 -8.916 0.131 1.00 25.78 C ATOM 1295 O THR A 87 45.132 -7.882 0.359 1.00 28.84 O ATOM 1296 CB THR A 87 42.698 -9.040 -1.585 1.00 27.05 C ATOM 1297 OG1 THR A 87 43.332 -7.981 -2.314 1.00 25.59 O ATOM 1298 CG2 THR A 87 41.196 -9.043 -1.874 1.00 23.95 C ATOM 1299 HA THR A 87 42.505 -9.704 0.463 1.00 0.00 H ATOM 1300 HB THR A 87 43.104 -10.000 -1.906 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.144 -8.088 -3.280 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.722 -9.851 -1.316 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.767 -8.088 -1.570 1.00 0.00 H ATOM 1304 HG22 THR A 87 41.033 -9.192 -2.941 1.00 0.00 H ATOM 1305 H THR A 87 42.037 -6.935 -0.150 1.00 0.00 H ATOM 1306 N GLY A 88 45.067 -10.110 0.046 1.00 33.07 N ATOM 1307 CA GLY A 88 46.496 -10.273 0.243 1.00 38.84 C ATOM 1308 C GLY A 88 47.321 -9.718 -0.904 1.00 29.87 C ATOM 1309 O GLY A 88 48.500 -9.413 -0.734 1.00 38.65 O ATOM 1310 HA3 GLY A 88 46.714 -11.336 0.345 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.782 -9.755 1.159 1.00 0.00 H ATOM 1312 H GLY A 88 44.482 -10.943 -0.165 1.00 0.00 H ATOM 1313 N SER A 89 46.699 -9.588 -2.073 1.00 32.57 N ATOM 1314 CA SER A 89 47.389 -9.109 -3.267 1.00 32.69 C ATOM 1315 C SER A 89 47.075 -7.639 -3.527 1.00 38.00 C ATOM 1316 O SER A 89 47.474 -7.076 -4.549 1.00 32.08 O ATOM 1317 CB SER A 89 46.964 -9.928 -4.479 1.00 37.12 C ATOM 1318 OG SER A 89 45.648 -9.578 -4.873 1.00 42.60 O ATOM 1319 HA SER A 89 48.461 -9.219 -3.101 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.994 -10.988 -4.226 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.650 -9.733 -5.303 1.00 0.00 H ATOM 1322 HG SER A 89 45.619 -8.616 -5.106 1.00 0.00 H ATOM 1323 H SER A 89 45.691 -9.835 -2.138 1.00 0.00 H ATOM 1324 N SER A 90 46.339 -7.029 -2.603 1.00 32.77 N ATOM 1325 CA SER A 90 46.032 -5.609 -2.674 1.00 25.21 C ATOM 1326 C SER A 90 47.302 -4.803 -2.451 1.00 26.16 C ATOM 1327 O SER A 90 47.999 -5.013 -1.466 1.00 31.13 O ATOM 1328 CB SER A 90 45.007 -5.243 -1.599 1.00 17.72 C ATOM 1329 OG SER A 90 44.881 -3.838 -1.455 1.00 18.30 O ATOM 1330 HA SER A 90 45.620 -5.382 -3.657 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.324 -5.669 -0.647 1.00 0.00 H ATOM 1332 HB3 SER A 90 44.039 -5.659 -1.877 1.00 0.00 H ATOM 1333 HG SER A 90 45.756 -3.454 -1.197 1.00 0.00 H ATOM 1334 H SER A 90 45.971 -7.585 -1.804 1.00 0.00 H ATOM 1335 N LYS A 91 47.595 -3.883 -3.364 1.00 24.57 N ATOM 1336 CA LYS A 91 48.714 -2.969 -3.184 1.00 26.36 C ATOM 1337 C LYS A 91 48.299 -1.527 -3.440 1.00 21.42 C ATOM 1338 O LYS A 91 47.885 -1.179 -4.544 1.00 27.44 O ATOM 1339 CB LYS A 91 49.886 -3.345 -4.100 1.00 27.13 C ATOM 1340 CG LYS A 91 50.564 -4.669 -3.756 1.00 25.32 C ATOM 1341 CD LYS A 91 51.061 -4.707 -2.309 1.00 35.68 C ATOM 1342 CE LYS A 91 51.996 -5.904 -2.064 1.00 38.52 C ATOM 1343 NZ LYS A 91 52.125 -6.265 -0.612 1.00 23.46 N ATOM 1344 HA LYS A 91 49.038 -3.056 -2.147 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.512 -3.410 -5.122 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.633 -2.554 -4.038 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.849 -5.478 -3.903 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.414 -4.812 -4.423 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.602 -3.785 -2.096 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.203 -4.785 -1.642 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.985 -5.656 -2.449 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.604 -6.767 -2.602 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.508 -5.453 -0.087 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.189 -6.514 -0.233 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.767 -7.077 -0.514 1.00 0.00 H ATOM 1356 H LYS A 91 47.014 -3.815 -4.224 1.00 0.00 H ATOM 1357 N TYR A 92 48.407 -0.701 -2.403 1.00 21.67 N ATOM 1358 CA TYR A 92 48.147 0.732 -2.493 1.00 25.57 C ATOM 1359 C TYR A 92 48.948 1.307 -3.659 1.00 26.88 C ATOM 1360 O TYR A 92 50.098 0.914 -3.865 1.00 26.08 O ATOM 1361 CB TYR A 92 48.557 1.389 -1.171 1.00 21.75 C ATOM 1362 CG TYR A 92 48.383 2.890 -1.105 1.00 30.86 C ATOM 1363 CD1 TYR A 92 47.192 3.451 -0.658 1.00 34.61 C ATOM 1364 CD2 TYR A 92 49.411 3.748 -1.477 1.00 33.76 C ATOM 1365 CE1 TYR A 92 47.024 4.823 -0.586 1.00 30.31 C ATOM 1366 CE2 TYR A 92 49.256 5.125 -1.409 1.00 33.83 C ATOM 1367 CZ TYR A 92 48.061 5.657 -0.959 1.00 40.74 C ATOM 1368 OH TYR A 92 47.901 7.022 -0.888 1.00 37.47 O ATOM 1369 HA TYR A 92 47.089 0.925 -2.669 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.610 1.165 -0.997 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.957 0.946 -0.376 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.355 3.332 -1.828 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.071 5.784 -1.708 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.080 5.243 -0.238 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.373 2.797 -0.358 1.00 0.00 H ATOM 1376 HH TYR A 92 46.995 7.230 -0.548 1.00 0.00 H ATOM 1377 H TYR A 92 48.690 -1.096 -1.483 1.00 0.00 H ATOM 1378 N PRO A 93 48.355 2.238 -4.429 1.00 29.21 N ATOM 1379 CA PRO A 93 47.064 2.912 -4.244 1.00 23.70 C ATOM 1380 C PRO A 93 45.869 2.118 -4.767 1.00 28.08 C ATOM 1381 O PRO A 93 44.749 2.618 -4.690 1.00 28.02 O ATOM 1382 CB PRO A 93 47.227 4.164 -5.098 1.00 25.67 C ATOM 1383 CG PRO A 93 48.030 3.677 -6.257 1.00 30.08 C ATOM 1384 CD PRO A 93 49.023 2.697 -5.661 1.00 31.22 C ATOM 1385 HA PRO A 93 46.855 3.074 -3.187 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.204 1.864 -6.340 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.968 3.190 -5.432 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.550 4.505 -6.738 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.390 3.179 -6.985 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.259 4.545 -5.424 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.758 4.944 -4.553 1.00 0.00 H ATOM 1392 N ASN A 94 46.105 0.921 -5.300 1.00 25.52 N ATOM 1393 CA ASN A 94 45.034 0.092 -5.852 1.00 27.71 C ATOM 1394 C ASN A 94 44.516 -0.880 -4.816 1.00 22.41 C ATOM 1395 O ASN A 94 44.774 -2.079 -4.890 1.00 24.95 O ATOM 1396 CB ASN A 94 45.531 -0.692 -7.067 1.00 22.20 C ATOM 1397 CG ASN A 94 46.164 0.196 -8.105 1.00 39.63 C ATOM 1398 OD1 ASN A 94 47.368 0.111 -8.363 1.00 39.99 O ATOM 1399 ND2 ASN A 94 45.359 1.064 -8.708 1.00 37.02 N ATOM 1400 HA ASN A 94 44.226 0.758 -6.155 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.268 -1.423 -6.735 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.685 -1.211 -7.519 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.350 1.099 -8.457 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.738 1.709 -9.431 1.00 0.00 H ATOM 1405 H ASN A 94 47.082 0.564 -5.325 1.00 0.00 H ATOM 1406 N CYS A 95 43.789 -0.358 -3.838 1.00 18.75 N ATOM 1407 CA CYS A 95 43.328 -1.179 -2.732 1.00 24.79 C ATOM 1408 C CYS A 95 42.235 -2.146 -3.187 1.00 16.85 C ATOM 1409 O CYS A 95 41.292 -1.749 -3.858 1.00 22.60 O ATOM 1410 CB CYS A 95 42.836 -0.279 -1.603 1.00 25.10 C ATOM 1411 SG CYS A 95 44.074 0.975 -1.153 1.00 21.40 S ATOM 1412 HA CYS A 95 44.158 -1.782 -2.364 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.622 -0.894 -0.729 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.924 0.224 -1.924 1.00 0.00 H ATOM 1415 H CYS A 95 43.546 0.653 -3.863 1.00 0.00 H ATOM 1416 N ALA A 96 42.384 -3.412 -2.819 1.00 17.61 N ATOM 1417 CA ALA A 96 41.427 -4.446 -3.210 1.00 19.92 C ATOM 1418 C ALA A 96 40.871 -5.093 -1.958 1.00 14.08 C ATOM 1419 O ALA A 96 41.599 -5.326 -0.998 1.00 18.46 O ATOM 1420 CB ALA A 96 42.086 -5.484 -4.094 1.00 22.33 C ATOM 1421 HA ALA A 96 40.617 -3.992 -3.781 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.470 -5.002 -4.993 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.908 -5.952 -3.552 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.353 -6.242 -4.371 1.00 0.00 H ATOM 1425 H ALA A 96 43.204 -3.676 -2.236 1.00 0.00 H ATOM 1426 N TYR A 97 39.582 -5.400 -1.992 1.00 16.82 N ATOM 1427 CA TYR A 97 38.859 -5.861 -0.819 1.00 15.94 C ATOM 1428 C TYR A 97 37.956 -7.025 -1.171 1.00 15.67 C ATOM 1429 O TYR A 97 37.386 -7.075 -2.263 1.00 18.85 O ATOM 1430 CB TYR A 97 37.996 -4.718 -0.266 1.00 13.06 C ATOM 1431 CG TYR A 97 38.804 -3.607 0.318 1.00 12.19 C ATOM 1432 CD1 TYR A 97 39.195 -2.526 -0.456 1.00 11.76 C ATOM 1433 CD2 TYR A 97 39.189 -3.642 1.655 1.00 16.42 C ATOM 1434 CE1 TYR A 97 39.952 -1.512 0.078 1.00 13.63 C ATOM 1435 CE2 TYR A 97 39.952 -2.641 2.199 1.00 14.73 C ATOM 1436 CZ TYR A 97 40.337 -1.581 1.410 1.00 17.91 C ATOM 1437 OH TYR A 97 41.089 -0.573 1.961 1.00 17.57 O ATOM 1438 HA TYR A 97 39.585 -6.183 -0.072 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.344 -5.119 0.510 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.389 -4.317 -1.077 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.879 -4.479 2.280 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.251 -2.684 3.246 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.247 -0.662 -0.537 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.897 -2.480 -1.504 1.00 0.00 H ATOM 1445 HH TYR A 97 40.586 -0.157 2.705 1.00 0.00 H ATOM 1446 H TYR A 97 39.069 -5.307 -2.892 1.00 0.00 H ATOM 1447 N LYS A 98 37.834 -7.956 -0.234 1.00 18.31 N ATOM 1448 CA LYS A 98 36.814 -8.989 -0.302 1.00 20.48 C ATOM 1449 C LYS A 98 35.540 -8.480 0.394 1.00 22.88 C ATOM 1450 O LYS A 98 35.595 -8.016 1.536 1.00 19.26 O ATOM 1451 CB LYS A 98 37.339 -10.257 0.362 1.00 19.97 C ATOM 1452 CG LYS A 98 36.312 -11.341 0.577 1.00 31.85 C ATOM 1453 CD LYS A 98 36.988 -12.603 1.104 1.00 41.72 C ATOM 1454 CE LYS A 98 38.137 -12.279 2.070 1.00 48.26 C ATOM 1455 NZ LYS A 98 37.684 -11.826 3.419 1.00 42.74 N ATOM 1456 HA LYS A 98 36.572 -9.222 -1.339 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.132 -10.663 -0.266 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.750 -9.984 1.334 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.572 -10.999 1.300 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.818 -11.564 -0.369 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.247 -13.207 1.628 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.385 -13.168 0.261 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.745 -11.489 1.628 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.744 -13.176 2.195 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 37.112 -10.963 3.320 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 37.112 -12.574 3.860 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 38.514 -11.627 4.013 1.00 0.00 H ATOM 1468 H LYS A 98 38.488 -7.946 0.574 1.00 0.00 H ATOM 1469 N THR A 99 34.410 -8.551 -0.315 1.00 19.07 N ATOM 1470 CA THR A 99 33.117 -8.076 0.174 1.00 18.12 C ATOM 1471 C THR A 99 32.289 -9.202 0.807 1.00 27.37 C ATOM 1472 O THR A 99 31.903 -10.157 0.132 1.00 22.26 O ATOM 1473 CB THR A 99 32.306 -7.432 -0.976 1.00 21.88 C ATOM 1474 OG1 THR A 99 32.954 -6.228 -1.407 1.00 14.69 O ATOM 1475 CG2 THR A 99 30.863 -7.108 -0.543 1.00 17.29 C ATOM 1476 HA THR A 99 33.324 -7.332 0.944 1.00 0.00 H ATOM 1477 HB THR A 99 32.261 -8.150 -1.795 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.009 -5.595 -0.648 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.369 -8.023 -0.215 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.884 -6.391 0.277 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.319 -6.682 -1.386 1.00 0.00 H ATOM 1482 H THR A 99 34.453 -8.967 -1.267 1.00 0.00 H ATOM 1483 N THR A 100 32.014 -9.096 2.104 1.00 18.22 N ATOM 1484 CA THR A 100 31.190 -10.100 2.765 1.00 25.89 C ATOM 1485 C THR A 100 29.977 -9.514 3.481 1.00 22.32 C ATOM 1486 O THR A 100 30.108 -8.810 4.475 1.00 18.86 O ATOM 1487 CB THR A 100 31.989 -10.945 3.765 1.00 28.98 C ATOM 1488 OG1 THR A 100 33.233 -11.338 3.177 1.00 32.55 O ATOM 1489 CG2 THR A 100 31.186 -12.187 4.152 1.00 28.25 C ATOM 1490 HA THR A 100 30.836 -10.735 1.953 1.00 0.00 H ATOM 1491 HB THR A 100 32.184 -10.353 4.659 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.754 -10.530 2.939 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.240 -11.882 4.599 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.992 -12.785 3.261 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.755 -12.777 4.870 1.00 0.00 H ATOM 1496 H THR A 100 32.389 -8.293 2.649 1.00 0.00 H ATOM 1497 N GLN A 101 28.805 -9.832 2.949 1.00 18.05 N ATOM 1498 CA GLN A 101 27.526 -9.473 3.524 1.00 25.11 C ATOM 1499 C GLN A 101 27.138 -10.426 4.660 1.00 25.76 C ATOM 1500 O GLN A 101 27.425 -11.624 4.612 1.00 22.82 O ATOM 1501 CB GLN A 101 26.471 -9.509 2.421 1.00 30.72 C ATOM 1502 CG GLN A 101 25.052 -9.337 2.888 1.00 33.81 C ATOM 1503 CD GLN A 101 24.807 -7.980 3.491 1.00 30.38 C ATOM 1504 OE1 GLN A 101 25.454 -7.002 3.114 1.00 31.35 O ATOM 1505 NE2 GLN A 101 23.871 -7.906 4.438 1.00 22.81 N ATOM 1506 HA GLN A 101 27.594 -8.471 3.948 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.693 -8.709 1.715 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.545 -10.471 1.914 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.385 -9.468 2.036 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.835 -10.098 3.638 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.351 -8.760 4.723 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.661 -6.994 4.892 1.00 0.00 H ATOM 1513 H GLN A 101 28.805 -10.374 2.062 1.00 0.00 H ATOM 1514 N ALA A 102 26.497 -9.888 5.688 1.00 16.52 N ATOM 1515 CA ALA A 102 26.028 -10.711 6.797 1.00 14.78 C ATOM 1516 C ALA A 102 24.894 -10.021 7.533 1.00 12.06 C ATOM 1517 O ALA A 102 24.573 -8.870 7.257 1.00 14.83 O ATOM 1518 CB ALA A 102 27.176 -11.026 7.757 1.00 19.77 C ATOM 1519 HA ALA A 102 25.652 -11.650 6.390 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.958 -11.566 7.222 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.582 -10.095 8.154 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.804 -11.641 8.577 1.00 0.00 H ATOM 1523 H ALA A 102 26.326 -8.862 5.704 1.00 0.00 H ATOM 1524 N ASN A 103 24.271 -10.745 8.450 1.00 13.11 N ATOM 1525 CA ASN A 103 23.289 -10.164 9.356 1.00 15.23 C ATOM 1526 C ASN A 103 23.704 -10.525 10.759 1.00 15.49 C ATOM 1527 O ASN A 103 23.681 -11.692 11.146 1.00 14.80 O ATOM 1528 CB ASN A 103 21.889 -10.691 9.061 1.00 17.02 C ATOM 1529 CG ASN A 103 21.415 -10.299 7.700 1.00 19.57 C ATOM 1530 OD1 ASN A 103 21.696 -10.982 6.718 1.00 28.43 O ATOM 1531 ND2 ASN A 103 20.713 -9.187 7.618 1.00 20.24 N ATOM 1532 HA ASN A 103 23.255 -9.082 9.229 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.901 -11.779 9.129 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.199 -10.289 9.803 1.00 0.00 H ATOM 1535 HD22 ASN A 103 20.500 -8.642 8.478 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.372 -8.854 6.694 1.00 0.00 H ATOM 1537 H ASN A 103 24.489 -11.759 8.526 1.00 0.00 H ATOM 1538 N LYS A 104 24.115 -9.519 11.512 1.00 13.27 N ATOM 1539 CA LYS A 104 24.763 -9.743 12.786 1.00 13.35 C ATOM 1540 C LYS A 104 24.408 -8.595 13.714 1.00 11.57 C ATOM 1541 O LYS A 104 23.967 -7.530 13.268 1.00 9.91 O ATOM 1542 CB LYS A 104 26.287 -9.797 12.601 1.00 16.54 C ATOM 1543 CG LYS A 104 26.814 -11.027 11.859 1.00 20.66 C ATOM 1544 CD LYS A 104 28.331 -11.145 12.001 1.00 24.86 C ATOM 1545 CE LYS A 104 28.792 -12.557 11.661 1.00 34.85 C ATOM 1546 NZ LYS A 104 30.276 -12.663 11.595 1.00 25.57 N ATOM 1547 HA LYS A 104 24.427 -10.690 13.208 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.590 -8.911 12.042 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.747 -9.777 13.589 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.347 -11.921 12.273 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.560 -10.942 10.802 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.811 -10.438 11.324 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.614 -10.912 13.028 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.376 -12.839 10.694 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.425 -13.241 12.426 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.636 -12.019 10.862 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.682 -12.403 12.516 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.542 -13.641 11.361 1.00 0.00 H ATOM 1559 H LYS A 104 23.969 -8.544 11.181 1.00 0.00 H ATOM 1560 N HIS A 105 24.583 -8.810 15.011 1.00 11.83 N ATOM 1561 CA HIS A 105 24.429 -7.717 15.959 1.00 9.06 C ATOM 1562 C HIS A 105 25.658 -6.822 15.852 1.00 8.86 C ATOM 1563 O HIS A 105 26.787 -7.312 15.747 1.00 13.56 O ATOM 1564 CB HIS A 105 24.260 -8.261 17.374 1.00 9.68 C ATOM 1565 CG HIS A 105 23.099 -9.198 17.516 1.00 12.48 C ATOM 1566 ND1 HIS A 105 21.865 -8.789 17.974 1.00 14.04 N ATOM 1567 CD2 HIS A 105 22.981 -10.519 17.246 1.00 18.64 C ATOM 1568 CE1 HIS A 105 21.037 -9.822 17.985 1.00 15.68 C ATOM 1569 NE2 HIS A 105 21.688 -10.883 17.545 1.00 17.09 N ATOM 1570 HA HIS A 105 23.535 -7.137 15.729 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.170 -8.793 17.651 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.111 -7.421 18.052 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.764 -11.173 16.863 1.00 0.00 H ATOM 1574 HE1 HIS A 105 19.995 -9.800 18.303 1.00 0.00 H ATOM 1575 H HIS A 105 24.831 -9.761 15.351 1.00 0.00 H ATOM 1576 N ILE A 106 25.461 -5.513 15.837 1.00 7.36 N ATOM 1577 CA ILE A 106 26.628 -4.640 15.777 1.00 6.73 C ATOM 1578 C ILE A 106 26.956 -4.117 17.166 1.00 7.16 C ATOM 1579 O ILE A 106 26.086 -4.025 18.039 1.00 5.64 O ATOM 1580 CB ILE A 106 26.459 -3.464 14.777 1.00 10.64 C ATOM 1581 CG1 ILE A 106 25.419 -2.457 15.296 1.00 9.70 C ATOM 1582 CG2 ILE A 106 26.097 -3.989 13.392 1.00 10.90 C ATOM 1583 CD1 ILE A 106 25.439 -1.107 14.583 1.00 8.03 C ATOM 1584 HA ILE A 106 27.457 -5.242 15.405 1.00 0.00 H ATOM 1585 HB ILE A 106 27.409 -2.937 14.691 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.428 -2.894 15.171 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.608 -2.286 16.356 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.419 -0.646 14.708 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.238 -1.255 13.522 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.674 -0.459 15.012 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.890 -4.647 13.036 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.161 -4.544 13.449 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.983 -3.150 12.705 1.00 0.00 H ATOM 1594 H ILE A 106 24.500 -5.118 15.867 1.00 0.00 H ATOM 1595 N ILE A 107 28.228 -3.796 17.373 1.00 8.29 N ATOM 1596 CA ILE A 107 28.654 -3.143 18.598 1.00 4.86 C ATOM 1597 C ILE A 107 29.381 -1.840 18.243 1.00 8.66 C ATOM 1598 O ILE A 107 30.359 -1.845 17.486 1.00 7.77 O ATOM 1599 CB ILE A 107 29.565 -4.049 19.441 1.00 5.79 C ATOM 1600 CG1 ILE A 107 28.829 -5.342 19.818 1.00 5.86 C ATOM 1601 CG2 ILE A 107 30.054 -3.302 20.688 1.00 6.15 C ATOM 1602 CD1 ILE A 107 29.700 -6.360 20.492 1.00 7.95 C ATOM 1603 HA ILE A 107 27.771 -2.926 19.199 1.00 0.00 H ATOM 1604 HB ILE A 107 30.439 -4.321 18.849 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.011 -5.088 20.493 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.423 -5.785 18.908 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.518 -6.635 19.826 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.105 -5.938 21.412 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.108 -7.245 20.727 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.614 -2.418 20.384 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.196 -3.001 21.289 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.698 -3.958 21.274 1.00 0.00 H ATOM 1613 H ILE A 107 28.934 -4.017 16.642 1.00 0.00 H ATOM 1614 N VAL A 108 28.871 -0.731 18.773 1.00 6.16 N ATOM 1615 CA VAL A 108 29.420 0.596 18.506 1.00 8.08 C ATOM 1616 C VAL A 108 29.748 1.311 19.816 1.00 7.60 C ATOM 1617 O VAL A 108 29.112 1.047 20.845 1.00 7.96 O ATOM 1618 CB VAL A 108 28.421 1.472 17.684 1.00 10.62 C ATOM 1619 CG1 VAL A 108 28.179 0.852 16.313 1.00 5.06 C ATOM 1620 CG2 VAL A 108 27.089 1.651 18.444 1.00 6.09 C ATOM 1621 HA VAL A 108 30.330 0.459 17.922 1.00 0.00 H ATOM 1622 HB VAL A 108 28.864 2.459 17.546 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.124 0.787 15.773 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.760 -0.147 16.436 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.481 1.474 15.753 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.637 0.674 18.618 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.280 2.140 19.399 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.412 2.265 17.849 1.00 0.00 H ATOM 1629 H VAL A 108 28.048 -0.812 19.403 1.00 0.00 H ATOM 1630 N ALA A 109 30.758 2.179 19.776 1.00 5.29 N ATOM 1631 CA ALA A 109 31.060 3.067 20.894 1.00 5.48 C ATOM 1632 C ALA A 109 30.327 4.364 20.648 1.00 8.11 C ATOM 1633 O ALA A 109 30.337 4.879 19.521 1.00 6.85 O ATOM 1634 CB ALA A 109 32.558 3.344 20.996 1.00 6.46 C ATOM 1635 HA ALA A 109 30.747 2.599 21.828 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.091 2.405 21.146 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.902 3.816 20.076 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.747 4.009 21.839 1.00 0.00 H ATOM 1639 H ALA A 109 31.349 2.225 18.922 1.00 0.00 H ATOM 1640 N CYS A 110 29.718 4.892 21.711 1.00 7.95 N ATOM 1641 CA CYS A 110 28.970 6.145 21.647 1.00 5.01 C ATOM 1642 C CYS A 110 29.584 7.201 22.570 1.00 7.09 C ATOM 1643 O CYS A 110 30.143 6.873 23.620 1.00 8.13 O ATOM 1644 CB CYS A 110 27.499 5.907 22.003 1.00 9.73 C ATOM 1645 SG CYS A 110 26.744 4.555 21.068 1.00 7.35 S ATOM 1646 HA CYS A 110 29.025 6.521 20.625 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.942 6.821 21.800 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.434 5.672 23.065 1.00 0.00 H ATOM 1649 H CYS A 110 29.778 4.392 22.621 1.00 0.00 H ATOM 1650 N GLU A 111 29.493 8.464 22.153 1.00 6.27 N ATOM 1651 CA GLU A 111 30.008 9.605 22.913 1.00 5.89 C ATOM 1652 C GLU A 111 29.195 10.850 22.589 1.00 6.93 C ATOM 1653 O GLU A 111 28.545 10.919 21.545 1.00 6.60 O ATOM 1654 CB GLU A 111 31.459 9.914 22.521 1.00 6.12 C ATOM 1655 CG GLU A 111 32.467 8.892 22.984 1.00 5.49 C ATOM 1656 CD GLU A 111 33.886 9.293 22.660 1.00 14.35 C ATOM 1657 OE1 GLU A 111 34.076 10.204 21.828 1.00 18.26 O ATOM 1658 OE2 GLU A 111 34.803 8.688 23.233 1.00 18.14 O ATOM 1659 HA GLU A 111 29.944 9.348 23.970 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.512 9.976 21.434 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.730 10.878 22.952 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.375 8.773 24.064 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.252 7.942 22.496 1.00 0.00 H ATOM 1664 H GLU A 111 29.032 8.649 21.239 1.00 0.00 H ATOM 1665 N GLY A 112 29.268 11.834 23.479 1.00 6.23 N ATOM 1666 CA GLY A 112 28.789 13.171 23.189 1.00 8.88 C ATOM 1667 C GLY A 112 27.382 13.471 23.644 1.00 14.24 C ATOM 1668 O GLY A 112 26.694 12.624 24.217 1.00 10.34 O ATOM 1669 HA3 GLY A 112 28.831 13.316 22.110 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.458 13.880 23.676 1.00 0.00 H ATOM 1671 H GLY A 112 29.682 11.639 24.413 1.00 0.00 H ATOM 1672 N ASN A 113 26.971 14.713 23.408 1.00 12.82 N ATOM 1673 CA ASN A 113 25.592 15.120 23.613 1.00 16.95 C ATOM 1674 C ASN A 113 25.133 15.860 22.364 1.00 17.41 C ATOM 1675 O ASN A 113 25.566 16.983 22.129 1.00 17.27 O ATOM 1676 CB ASN A 113 25.469 16.007 24.852 1.00 14.25 C ATOM 1677 CG ASN A 113 24.019 16.251 25.252 1.00 18.26 C ATOM 1678 OD1 ASN A 113 23.093 15.744 24.614 1.00 22.39 O ATOM 1679 ND2 ASN A 113 23.819 17.009 26.326 1.00 35.74 N ATOM 1680 HA ASN A 113 24.961 14.247 23.781 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.984 15.523 25.682 1.00 0.00 H ATOM 1682 HB3 ASN A 113 25.941 16.967 24.643 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.630 17.416 26.833 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.851 17.195 26.659 1.00 0.00 H ATOM 1685 H ASN A 113 27.658 15.415 23.066 1.00 0.00 H ATOM 1686 N PRO A 114 24.268 15.231 21.547 1.00 18.28 N ATOM 1687 CA PRO A 114 23.589 13.947 21.761 1.00 15.76 C ATOM 1688 C PRO A 114 24.539 12.738 21.699 1.00 12.10 C ATOM 1689 O PRO A 114 25.613 12.803 21.097 1.00 9.31 O ATOM 1690 CB PRO A 114 22.596 13.891 20.608 1.00 20.49 C ATOM 1691 CG PRO A 114 23.276 14.621 19.516 1.00 24.22 C ATOM 1692 CD PRO A 114 24.000 15.759 20.197 1.00 21.50 C ATOM 1693 HA PRO A 114 23.139 13.892 22.752 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.929 15.997 19.679 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.373 16.649 20.243 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.549 15.003 18.800 1.00 0.00 H ATOM 1697 HG2 PRO A 114 23.983 13.970 19.002 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.395 12.859 20.319 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.660 14.380 20.878 1.00 0.00 H ATOM 1700 N TYR A 115 24.122 11.664 22.361 1.00 12.40 N ATOM 1701 CA TYR A 115 24.915 10.446 22.526 1.00 12.04 C ATOM 1702 C TYR A 115 24.754 9.562 21.301 1.00 9.12 C ATOM 1703 O TYR A 115 23.711 8.937 21.087 1.00 9.66 O ATOM 1704 CB TYR A 115 24.457 9.726 23.786 1.00 11.76 C ATOM 1705 CG TYR A 115 25.447 8.763 24.403 1.00 7.40 C ATOM 1706 CD1 TYR A 115 26.711 9.192 24.819 1.00 7.15 C ATOM 1707 CD2 TYR A 115 25.095 7.429 24.620 1.00 7.24 C ATOM 1708 CE1 TYR A 115 27.613 8.297 25.409 1.00 10.13 C ATOM 1709 CE2 TYR A 115 25.981 6.534 25.222 1.00 6.92 C ATOM 1710 CZ TYR A 115 27.229 6.969 25.617 1.00 8.26 C ATOM 1711 OH TYR A 115 28.092 6.077 26.225 1.00 8.32 O ATOM 1712 HA TYR A 115 25.972 10.694 22.627 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.556 9.164 23.539 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.219 10.483 24.534 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.109 7.080 24.313 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.688 5.496 25.379 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.607 8.634 25.704 1.00 0.00 H ATOM 1718 HD1 TYR A 115 26.998 10.235 24.683 1.00 0.00 H ATOM 1719 HH TYR A 115 27.677 5.731 27.054 1.00 0.00 H ATOM 1720 H TYR A 115 23.174 11.691 22.788 1.00 0.00 H ATOM 1721 N VAL A 116 25.786 9.542 20.470 1.00 8.99 N ATOM 1722 CA VAL A 116 25.679 8.928 19.151 1.00 8.19 C ATOM 1723 C VAL A 116 26.902 8.067 18.841 1.00 8.43 C ATOM 1724 O VAL A 116 27.952 8.205 19.476 1.00 7.77 O ATOM 1725 CB VAL A 116 25.530 10.018 18.050 1.00 9.27 C ATOM 1726 CG1 VAL A 116 24.204 10.733 18.173 1.00 13.10 C ATOM 1727 CG2 VAL A 116 26.695 11.004 18.121 1.00 8.56 C ATOM 1728 HA VAL A 116 24.793 8.293 19.158 1.00 0.00 H ATOM 1729 HB VAL A 116 25.552 9.530 17.075 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.393 10.013 18.065 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.140 11.211 19.150 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.126 11.489 17.392 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.704 11.484 19.100 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.632 10.469 17.969 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.577 11.760 17.345 1.00 0.00 H ATOM 1736 H VAL A 116 26.687 9.971 20.763 1.00 0.00 H ATOM 1737 N PRO A 117 26.783 7.177 17.846 1.00 10.94 N ATOM 1738 CA PRO A 117 27.944 6.324 17.597 1.00 6.57 C ATOM 1739 C PRO A 117 29.120 7.104 17.019 1.00 11.06 C ATOM 1740 O PRO A 117 28.949 7.913 16.094 1.00 8.54 O ATOM 1741 CB PRO A 117 27.409 5.286 16.589 1.00 7.80 C ATOM 1742 CG PRO A 117 25.892 5.391 16.675 1.00 9.32 C ATOM 1743 CD PRO A 117 25.634 6.825 16.986 1.00 10.22 C ATOM 1744 HA PRO A 117 28.336 5.877 18.511 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.621 7.429 16.079 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.691 6.950 17.518 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.505 4.749 17.467 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.432 5.113 15.727 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.752 5.519 15.581 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.739 4.283 16.861 1.00 0.00 H ATOM 1751 N VAL A 118 30.307 6.851 17.568 1.00 6.00 N ATOM 1752 CA VAL A 118 31.538 7.444 17.067 1.00 8.10 C ATOM 1753 C VAL A 118 32.574 6.393 16.622 1.00 10.71 C ATOM 1754 O VAL A 118 33.536 6.735 15.957 1.00 8.47 O ATOM 1755 CB VAL A 118 32.187 8.410 18.099 1.00 6.32 C ATOM 1756 CG1 VAL A 118 31.276 9.605 18.362 1.00 11.36 C ATOM 1757 CG2 VAL A 118 32.525 7.680 19.402 1.00 8.05 C ATOM 1758 HA VAL A 118 31.240 8.016 16.188 1.00 0.00 H ATOM 1759 HB VAL A 118 33.121 8.780 17.676 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.108 10.144 17.430 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.323 9.254 18.757 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.749 10.268 19.087 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.612 7.269 19.834 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.225 6.871 19.193 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.977 8.381 20.103 1.00 0.00 H ATOM 1766 H VAL A 118 30.356 6.207 18.383 1.00 0.00 H ATOM 1767 N HIS A 119 32.378 5.122 16.976 1.00 7.59 N ATOM 1768 CA HIS A 119 33.285 4.071 16.508 1.00 11.39 C ATOM 1769 C HIS A 119 32.525 2.772 16.268 1.00 10.49 C ATOM 1770 O HIS A 119 31.564 2.481 16.978 1.00 8.78 O ATOM 1771 CB HIS A 119 34.415 3.812 17.518 1.00 15.97 C ATOM 1772 CG HIS A 119 35.194 5.035 17.905 1.00 18.88 C ATOM 1773 ND1 HIS A 119 35.950 5.756 17.004 1.00 25.34 N ATOM 1774 CD2 HIS A 119 35.368 5.640 19.107 1.00 23.17 C ATOM 1775 CE1 HIS A 119 36.528 6.770 17.625 1.00 21.02 C ATOM 1776 NE2 HIS A 119 36.192 6.722 18.903 1.00 26.82 N ATOM 1777 HA HIS A 119 33.723 4.418 15.572 1.00 0.00 H ATOM 1778 HB2 HIS A 119 33.975 3.388 18.421 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.106 3.092 17.079 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.935 5.327 20.057 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.172 7.518 17.162 1.00 0.00 H ATOM 1782 H HIS A 119 31.575 4.875 17.589 1.00 0.00 H ATOM 1783 N PHE A 120 32.950 1.988 15.277 1.00 6.12 N ATOM 1784 CA PHE A 120 32.357 0.663 15.078 1.00 7.25 C ATOM 1785 C PHE A 120 33.289 -0.339 15.740 1.00 8.55 C ATOM 1786 O PHE A 120 34.424 -0.473 15.316 1.00 9.30 O ATOM 1787 CB PHE A 120 32.204 0.342 13.577 1.00 9.42 C ATOM 1788 CG PHE A 120 31.393 -0.894 13.304 1.00 6.83 C ATOM 1789 CD1 PHE A 120 30.034 -0.801 13.060 1.00 7.53 C ATOM 1790 CD2 PHE A 120 31.979 -2.153 13.333 1.00 10.38 C ATOM 1791 CE1 PHE A 120 29.277 -1.945 12.828 1.00 9.19 C ATOM 1792 CE2 PHE A 120 31.234 -3.296 13.097 1.00 8.36 C ATOM 1793 CZ PHE A 120 29.873 -3.188 12.846 1.00 9.71 C ATOM 1794 HA PHE A 120 31.359 0.623 15.514 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.717 1.188 13.092 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.198 0.203 13.151 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.044 -2.243 13.545 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.713 -4.275 13.108 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.278 -4.083 12.664 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.208 -1.858 12.631 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.553 0.177 13.049 1.00 0.00 H ATOM 1802 H PHE A 120 33.705 2.318 14.643 1.00 0.00 H ATOM 1803 N ASP A 121 32.836 -1.036 16.784 1.00 4.86 N ATOM 1804 CA ASP A 121 33.753 -1.889 17.546 1.00 6.48 C ATOM 1805 C ASP A 121 33.824 -3.331 17.031 1.00 10.10 C ATOM 1806 O ASP A 121 34.907 -3.916 16.973 1.00 9.23 O ATOM 1807 CB ASP A 121 33.383 -1.900 19.036 1.00 6.75 C ATOM 1808 CG ASP A 121 34.582 -2.153 19.933 1.00 9.45 C ATOM 1809 OD1 ASP A 121 35.637 -1.506 19.716 1.00 10.35 O ATOM 1810 OD2 ASP A 121 34.467 -2.997 20.858 1.00 8.32 O ATOM 1811 HA ASP A 121 34.740 -1.448 17.408 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.950 -0.934 19.296 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.646 -2.685 19.207 1.00 0.00 H ATOM 1814 H ASP A 121 31.834 -0.974 17.057 1.00 0.00 H ATOM 1815 N ALA A 122 32.674 -3.893 16.654 1.00 5.54 N ATOM 1816 CA ALA A 122 32.602 -5.321 16.340 1.00 8.97 C ATOM 1817 C ALA A 122 31.227 -5.707 15.847 1.00 10.70 C ATOM 1818 O ALA A 122 30.266 -4.965 15.997 1.00 7.58 O ATOM 1819 CB ALA A 122 32.926 -6.148 17.584 1.00 6.06 C ATOM 1820 HA ALA A 122 33.329 -5.522 15.553 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.932 -5.906 17.927 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.207 -5.917 18.370 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.869 -7.209 17.339 1.00 0.00 H ATOM 1824 H ALA A 122 31.817 -3.308 16.582 1.00 0.00 H ATOM 1825 N SER A 123 31.140 -6.892 15.258 1.00 11.37 N ATOM 1826 CA SER A 123 29.850 -7.488 14.971 1.00 14.12 C ATOM 1827 C SER A 123 29.885 -8.899 15.526 1.00 13.91 C ATOM 1828 O SER A 123 30.913 -9.574 15.449 1.00 16.22 O ATOM 1829 CB SER A 123 29.584 -7.525 13.470 1.00 15.08 C ATOM 1830 OG SER A 123 30.385 -8.525 12.883 1.00 17.45 O ATOM 1831 HA SER A 123 29.052 -6.901 15.425 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.829 -6.557 13.032 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.532 -7.748 13.291 1.00 0.00 H ATOM 1834 HG SER A 123 30.161 -9.403 13.283 1.00 0.00 H ATOM 1835 H SER A 123 32.009 -7.401 14.998 1.00 0.00 H ATOM 1836 N VAL A 124 28.772 -9.335 16.102 1.00 14.26 N ATOM 1837 CA VAL A 124 28.718 -10.646 16.730 1.00 14.78 C ATOM 1838 C VAL A 124 27.470 -11.414 16.305 1.00 18.79 C ATOM 1839 O VAL A 124 26.504 -10.857 15.766 1.00 18.16 O ATOM 1840 CB VAL A 124 28.773 -10.553 18.278 1.00 15.51 C ATOM 1841 CG1 VAL A 124 30.101 -9.956 18.733 1.00 20.17 C ATOM 1842 CG2 VAL A 124 27.612 -9.756 18.809 1.00 14.57 C ATOM 1843 HA VAL A 124 29.600 -11.188 16.390 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.423 -12.625 16.504 1.00 17.86 O ATOM 1845 HB VAL A 124 28.698 -11.562 18.684 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.919 -10.588 18.387 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.211 -8.956 18.314 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.119 -9.900 19.821 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.645 -8.748 18.395 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.679 -10.239 18.519 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.674 -9.706 19.896 1.00 0.00 H ATOM 1852 H VAL A 124 27.926 -8.730 16.105 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 31.018 7.741 26.266 1.00 6.67 O HETATM 1855 O HOH 2 35.126 -5.520 -3.196 1.00 14.32 O HETATM 1856 O HOH 3 37.410 -0.551 21.369 1.00 9.23 O HETATM 1857 O HOH 4 31.938 -6.982 25.234 1.00 7.78 O HETATM 1858 O HOH 5 32.953 -4.989 22.070 1.00 6.19 O HETATM 1859 O HOH 6 34.083 8.520 14.169 1.00 15.53 O HETATM 1860 O HOH 7 25.167 10.551 13.897 1.00 12.39 O HETATM 1861 O HOH 8 19.940 -4.990 27.928 1.00 11.58 O HETATM 1862 O HOH 9 17.931 0.048 16.712 1.00 11.12 O HETATM 1863 O HOH 10 34.100 5.835 12.553 1.00 15.34 O HETATM 1864 O HOH 11 27.266 8.868 14.150 1.00 10.09 O HETATM 1865 O HOH 12 41.198 -1.403 9.703 1.00 22.29 O HETATM 1866 O HOH 13 27.145 14.199 19.580 1.00 15.73 O HETATM 1867 O HOH 14 16.083 1.214 20.665 1.00 22.35 O HETATM 1868 O HOH 15 16.834 0.156 9.412 1.00 13.40 O HETATM 1869 O HOH 16 34.839 6.021 22.380 1.00 16.06 O HETATM 1870 O HOH 17 34.990 -9.719 3.838 1.00 17.42 O HETATM 1871 O HOH 18 30.663 14.024 17.060 1.00 14.54 O HETATM 1872 O HOH 19 18.349 -0.765 26.802 1.00 19.34 O HETATM 1873 O HOH 20 35.709 3.602 23.396 1.00 12.52 O HETATM 1874 O HOH 21 22.353 8.287 19.139 1.00 24.75 O HETATM 1875 O HOH 22 26.797 13.365 11.204 1.00 30.24 O HETATM 1876 O HOH 23 29.047 -3.398 -9.145 1.00 19.60 O HETATM 1877 O HOH 24 20.187 6.270 21.224 1.00 20.74 O HETATM 1878 O HOH 25 17.458 6.810 17.034 1.00 19.00 O HETATM 1879 O HOH 26 29.918 6.474 -1.169 1.00 22.78 O HETATM 1880 O HOH 27 25.052 0.482 31.680 1.00 20.58 O HETATM 1881 O HOH 28 29.605 12.208 7.137 1.00 15.66 O HETATM 1882 O HOH 29 17.014 7.684 9.892 1.00 18.61 O HETATM 1883 O HOH 30 29.793 4.185 30.090 1.00 17.43 O HETATM 1884 O HOH 31 22.008 -8.011 21.419 1.00 27.49 O HETATM 1885 O HOH 32 46.927 -1.645 4.097 1.00 25.10 O HETATM 1886 O HOH 33 33.996 15.485 17.007 1.00 24.26 O HETATM 1887 O HOH 34 29.115 -14.143 17.482 1.00 22.93 O HETATM 1888 O HOH 35 39.772 6.782 -1.116 1.00 28.43 O HETATM 1889 O HOH 36 21.434 8.249 22.578 1.00 26.89 O HETATM 1890 O HOH 37 39.243 0.383 -3.102 1.00 20.79 O HETATM 1891 O HOH 38 29.556 12.732 19.449 1.00 16.60 O HETATM 1892 O HOH 39 29.144 16.778 22.655 1.00 26.58 O HETATM 1893 O HOH 40 23.946 -8.237 -5.273 1.00 27.61 O HETATM 1894 O HOH 41 40.302 1.119 28.596 1.00 23.23 O HETATM 1895 O HOH 42 32.131 4.645 33.194 1.00 23.25 O HETATM 1896 O HOH 43 18.146 -6.442 8.931 1.00 28.54 O HETATM 1897 O HOH 44 18.644 -3.462 17.516 1.00 19.48 O HETATM 1898 O HOH 45 34.086 -7.789 14.413 1.00 17.74 O HETATM 1899 O HOH 46 33.346 -10.069 16.905 1.00 17.74 O HETATM 1900 O HOH 47 23.221 -10.927 4.689 1.00 30.39 O HETATM 1901 O HOH 48 38.505 -7.516 -4.806 1.00 23.93 O HETATM 1902 O HOH 49 19.293 -8.577 5.431 1.00 28.92 O HETATM 1903 O HOH 50 39.118 8.221 7.092 1.00 32.64 O HETATM 1904 O HOH 51 24.625 -13.288 8.356 1.00 25.18 O HETATM 1905 O HOH 52 22.184 6.873 7.167 1.00 27.90 O HETATM 1906 O HOH 53 34.407 -8.959 -3.150 1.00 26.56 O HETATM 1907 O HOH 54 37.506 -2.378 17.351 1.00 26.24 O HETATM 1908 O HOH 55 30.507 -10.593 7.465 1.00 36.10 O HETATM 1909 O HOH 56 30.671 17.431 10.626 1.00 23.01 O HETATM 1910 O HOH 57 19.282 -8.271 9.976 1.00 25.91 O HETATM 1911 O HOH 58 37.868 1.433 -6.566 1.00 29.30 O HETATM 1912 O HOH 59 18.473 9.361 16.587 1.00 21.83 O HETATM 1913 O HOH 60 36.282 12.597 3.900 1.00 34.61 O HETATM 1914 O HOH 61 16.660 -7.971 12.394 1.00 29.48 O HETATM 1915 O HOH 62 24.473 -12.253 15.259 1.00 27.52 O HETATM 1916 O HOH 63 19.359 -12.477 17.283 1.00 26.77 O HETATM 1917 O HOH 64 27.636 -14.245 5.382 1.00 37.72 O HETATM 1918 O HOH 65 18.101 3.253 27.257 1.00 24.79 O HETATM 1919 O HOH 66 43.594 -8.430 -4.814 1.00 38.58 O HETATM 1920 O HOH 67 24.473 -5.183 29.666 1.00 20.26 O HETATM 1921 O HOH 68 23.485 -10.506 0.253 1.00 25.59 O HETATM 1922 O HOH 69 23.942 5.929 4.523 1.00 12.76 O HETATM 1923 O HOH 70 24.434 8.166 7.487 1.00 23.20 O HETATM 1924 O HOH 71 35.652 -4.649 -7.956 1.00 30.33 O HETATM 1925 O HOH 72 33.767 11.699 19.929 1.00 26.33 O HETATM 1926 O HOH 73 44.138 5.017 -2.988 1.00 30.08 O HETATM 1927 O HOH 74 28.429 16.626 20.251 1.00 30.24 O HETATM 1928 O HOH 75 50.113 9.216 1.395 1.00 32.78 O HETATM 1929 O HOH 76 30.328 -1.653 29.887 1.00 27.74 O HETATM 1930 O HOH 77 26.987 -2.909 -4.822 1.00 28.47 O HETATM 1931 O HOH 78 24.207 -13.483 13.180 1.00 26.93 O HETATM 1932 O HOH 79 27.557 -6.666 29.395 1.00 27.74 O HETATM 1933 O HOH 80 26.023 -10.953 -1.316 1.00 28.54 O HETATM 1934 O HOH 81 41.160 2.130 -3.790 1.00 31.55 O HETATM 1935 O HOH 82 43.134 -0.170 24.853 1.00 38.29 O HETATM 1936 O HOH 83 21.588 12.829 13.191 1.00 22.74 O HETATM 1937 O HOH 84 42.906 5.325 4.510 1.00 33.96 O HETATM 1938 O HOH 85 15.328 -1.194 1.858 1.00 37.51 O HETATM 1939 O HOH 86 37.883 13.185 10.926 1.00 30.78 O HETATM 1940 O HOH 87 17.362 2.645 21.721 1.00 22.70 O HETATM 1941 O HOH 88 34.647 4.337 -5.891 1.00 23.34 O HETATM 1942 O HOH 89 36.724 24.018 9.937 1.00 41.54 O HETATM 1943 O HOH 90 31.847 -6.794 11.396 1.00 22.30 O HETATM 1944 O HOH 91 40.943 -1.596 -6.433 1.00 32.63 O HETATM 1945 O HOH 92 18.459 10.365 13.120 1.00 28.22 O HETATM 1946 O HOH 93 37.139 12.960 14.594 1.00 32.32 O HETATM 1947 O HOH 94 45.909 -4.232 -6.135 1.00 28.67 O HETATM 1948 O HOH 95 32.017 13.655 6.726 1.00 22.25 O HETATM 1949 O HOH 96 28.000 18.706 23.636 1.00 29.91 O HETATM 1950 O HOH 97 28.000 16.173 13.490 1.00 30.17 O HETATM 1951 O HOH 98 42.378 0.434 10.676 1.00 33.31 O HETATM 1952 O HOH 99 39.575 11.723 9.579 1.00 30.35 O HETATM 1953 O HOH 100 21.463 0.407 28.243 1.00 26.60 O HETATM 1954 O HOH 101 44.935 -12.079 -2.545 1.00 35.43 O HETATM 1955 O HOH 102 22.551 4.914 26.702 1.00 19.67 O HETATM 1956 O HOH 103 31.382 -11.938 14.070 1.00 27.23 O HETATM 1957 O HOH 104 48.102 0.115 2.224 1.00 23.20 O HETATM 1958 O HOH 105 25.628 3.517 -1.598 1.00 29.27 O HETATM 1959 O HOH 106 43.216 -11.634 -4.583 1.00 41.48 O HETATM 1960 O HOH 107 20.426 10.074 18.568 1.00 29.52 O HETATM 1961 O HOH 108 28.800 15.577 16.341 1.00 24.03 O HETATM 1962 O HOH 109 49.116 -1.711 0.284 1.00 29.64 O HETATM 1963 O HOH 110 17.296 -9.998 15.366 1.00 23.91 O HETATM 1964 O HOH 111 36.503 10.098 15.550 1.00 30.71 O HETATM 1965 O HOH 112 22.377 13.604 15.985 1.00 24.96 O HETATM 1966 O HOH 113 24.887 12.905 15.118 1.00 17.82 O HETATM 1967 O HOH 114 26.407 14.808 17.012 1.00 17.77 O HETATM 1968 O HOH 115 17.737 4.838 3.358 1.00 31.95 O HETATM 1969 O HOH 116 17.130 3.135 5.943 1.00 26.51 O HETATM 1970 O HOH 117 17.238 -2.338 15.288 1.00 27.69 O HETATM 1971 O HOH 118 20.793 12.585 17.515 1.00 28.49 O HETATM 1972 O HOH 119 24.319 16.538 16.461 1.00 31.99 O HETATM 1973 O HOH 120 23.393 1.756 29.509 1.00 20.73 O HETATM 1974 O HOH 121 28.821 -9.588 22.753 1.00 12.67 O HETATM 1975 O HOH 122 28.991 -11.974 21.879 1.00 17.40 O HETATM 1976 O HOH 123 33.672 -9.420 19.269 1.00 21.78 O HETATM 1977 O HOH 124 33.375 -7.650 21.343 1.00 8.82 O HETATM 1978 O HOH 125 40.722 -6.414 23.065 1.00 18.29 O HETATM 1979 O HOH 126 40.075 -7.898 20.751 1.00 25.30 O HETATM 1980 O HOH 127 36.245 1.982 21.377 1.00 11.25 O HETATM 1981 O HOH 128 39.421 -0.573 19.970 1.00 21.19 O HETATM 1982 O HOH 129 34.546 5.142 33.460 1.00 29.09 O HETATM 1983 O HOH 130 37.426 0.873 31.598 1.00 27.42 O HETATM 1984 O HOH 131 35.558 5.949 26.270 1.00 18.12 O HETATM 1985 O HOH 132 45.130 5.225 -8.610 1.00 40.67 O HETATM 1986 O HOH 133 36.821 -9.918 -4.067 1.00 27.79 O HETATM 1987 O HOH 134 21.516 -12.421 26.245 1.00 28.21 O HETATM 1988 O HOH 135 21.783 -9.604 27.560 1.00 20.90 O HETATM 1989 O HOH 136 32.487 15.946 19.037 1.00 28.19 O HETATM 1990 O HOH 137 31.349 -13.602 17.806 1.00 23.93 O HETATM 1991 O HOH 138 21.576 11.951 23.816 1.00 23.37 O HETATM 1992 O HOH 139 14.337 4.098 10.870 1.00 29.31 O HETATM 1993 O HOH 140 36.731 17.964 6.956 1.00 35.15 O HETATM 1994 O HOH 141 26.071 14.460 12.959 1.00 28.90 O HETATM 1995 O HOH 142 27.980 16.967 11.342 1.00 36.72 O HETATM 1996 O HOH 143 36.078 10.127 17.884 1.00 33.73 O HETATM 1997 O HOH 144 36.031 13.064 19.370 1.00 25.87 O HETATM 1998 O HOH 145 28.750 -1.763 -5.837 1.00 34.47 O HETATM 1999 O HOH 146 25.876 -3.714 -7.746 1.00 29.69 O HETATM 2000 O HOH 147 35.368 2.546 -7.777 1.00 28.33 O HETATM 2001 O HOH 148 40.896 5.815 7.196 1.00 34.42 O HETATM 2002 O HOH 149 48.150 -1.592 6.372 1.00 24.64 O HETATM 2003 O HOH 150 44.131 -6.208 9.438 1.00 39.21 O HETATM 2004 O HOH 151 22.979 13.070 10.730 1.00 26.02 O HETATM 2005 O HOH 152 29.989 -1.956 32.543 1.00 34.93 O HETATM 2006 O HOH 153 38.065 3.561 20.274 1.00 31.28 O HETATM 2007 O HOH 154 25.523 -11.829 22.356 1.00 27.82 O HETATM 2008 O HOH 155 35.333 1.143 18.767 1.00 11.51 O HETATM 2009 O HOH 156 36.801 1.045 17.110 1.00 31.43 O HETATM 2010 O HOH 157 31.143 -3.403 30.903 1.00 24.05 O HETATM 2011 O HOH 158 18.228 -0.287 2.292 1.00 33.11 O HETATM 2012 O HOH 159 40.895 -8.577 -5.588 1.00 32.10 O HETATM 2013 O HOH 160 48.304 -3.241 -7.585 1.00 39.20 O HETATM 2014 O HOH 161 39.851 -0.627 13.263 1.00 45.18 O HETATM 2015 O HOH 162 49.475 4.247 8.285 1.00 31.55 O HETATM 2016 O HOH 163 13.983 -7.097 15.860 1.00 32.00 O HETATM 2017 O HOH 164 43.008 -13.336 -2.982 1.00 32.13 O HETATM 2018 O HOH 165 17.724 -2.205 12.374 1.00 26.25 O HETATM 2019 C4 UNN A 166 34.779 -4.418 12.478 1.00 0.19 C HETATM 2020 C5 UNN A 166 35.822 -4.252 13.375 1.00 0.13 C HETATM 2021 C6 UNN A 166 36.539 -3.069 13.328 1.00 0.06 C HETATM 2022 N1 UNN A 166 36.188 -2.088 12.442 1.00 -0.25 N HETATM 2023 C7 UNN A 166 37.040 -0.979 12.445 1.00 0.07 C HETATM 2024 C8 UNN A 166 36.723 0.438 12.664 1.00 0.06 C HETATM 2025 C9 UNN A 166 36.841 1.173 13.931 1.00 0.07 C HETATM 2026 N7 UNN A 166 36.491 2.476 13.607 1.00 -0.15 N HETATM 2027 N6 UNN A 166 36.255 2.558 12.301 1.00 -0.10 N HETATM 2028 N5 UNN A 166 36.394 1.384 11.706 1.00 -0.22 N HETATM 2029 C1' UNN A 166 36.484 3.550 14.591 1.00 0.22 C HETATM 2030 O4' UNN A 166 36.270 4.760 13.933 1.00 -0.33 O HETATM 2031 C4' UNN A 166 37.541 5.247 13.437 1.00 0.11 C HETATM 2032 C5' UNN A 166 37.505 6.748 13.307 1.00 0.07 C HETATM 2033 O5' UNN A 166 38.799 7.276 13.050 1.00 -0.39 O HETATM 2034 H12 UNN A 166 38.745 8.221 12.973 1.00 0.21 H HETATM 2035 H10 UNN A 166 37.122 7.179 14.243 1.00 0.06 H HETATM 2036 H11 UNN A 166 36.836 7.020 12.477 1.00 0.06 H HETATM 2037 C3' UNN A 166 38.594 4.681 14.399 1.00 0.11 C HETATM 2038 O3' UNN A 166 39.713 4.128 13.725 1.00 -0.39 O HETATM 2039 H14 UNN A 166 40.332 3.793 14.363 1.00 0.21 H HETATM 2040 C2' UNN A 166 37.838 3.666 15.283 1.00 0.14 C HETATM 2041 O2' UNN A 166 37.635 4.182 16.590 1.00 -0.38 O HETATM 2042 H16 UNN A 166 37.124 4.981 16.538 1.00 0.21 H HETATM 2043 H15 UNN A 166 38.363 2.700 15.328 1.00 0.07 H HETATM 2044 H13 UNN A 166 38.967 5.495 15.037 1.00 0.06 H HETATM 2045 H9 UNN A 166 37.729 4.833 12.435 1.00 0.06 H HETATM 2046 H8 UNN A 166 35.693 3.368 15.334 1.00 0.10 H HETATM 2047 H5 UNN A 166 37.136 0.783 14.904 1.00 0.09 H HETATM 2048 H3 UNN A 166 37.787 -1.213 13.217 1.00 0.06 H HETATM 2049 H4 UNN A 166 37.517 -1.001 11.454 1.00 0.06 H HETATM 2050 C2 UNN A 166 35.176 -2.270 11.545 1.00 0.29 C HETATM 2051 N3 UNN A 166 34.483 -3.418 11.587 1.00 -0.20 N HETATM 2052 H6 UNN A 166 33.725 -3.549 10.947 1.00 0.22 H HETATM 2053 O2 UNN A 166 34.858 -1.383 10.722 1.00 -0.39 O HETATM 2054 H1 UNN A 166 37.582 -3.339 13.105 1.00 0.06 H HETATM 2055 H2 UNN A 166 36.482 -2.624 14.332 1.00 0.06 H HETATM 2056 F5A UNN A 166 36.121 -5.193 14.236 1.00 -0.24 F HETATM 2057 O4 UNN A 166 34.046 -5.603 12.503 1.00 -0.32 O HETATM 2058 H7 UNN A 166 34.392 -6.174 13.179 1.00 0.25 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 2019 2020 2051 2057 CONECT 2020 2019 2021 2056 CONECT 2021 2020 2022 2054 2055 CONECT 2022 2021 2023 2050 CONECT 2023 2022 2024 2048 2049 CONECT 2024 2023 2025 2028 CONECT 2025 2024 2026 2047 CONECT 2026 2025 2027 2029 CONECT 2027 2026 2028 CONECT 2028 2024 2027 CONECT 2029 2026 2030 2040 2046 CONECT 2030 2029 2031 CONECT 2031 2030 2032 2037 2045 CONECT 2032 2031 2033 2035 2036 CONECT 2033 2032 2034 CONECT 2034 2033 CONECT 2035 2032 CONECT 2036 2032 CONECT 2037 2031 2038 2040 2044 CONECT 2038 2037 2039 CONECT 2039 2038 CONECT 2040 2029 2037 2041 2043 CONECT 2041 2040 2042 CONECT 2042 2041 CONECT 2043 2040 CONECT 2044 2037 CONECT 2045 2031 CONECT 2046 2029 CONECT 2047 2025 CONECT 2048 2023 CONECT 2049 2023 CONECT 2050 2022 2051 2053 CONECT 2051 2019 2050 2052 CONECT 2052 2051 CONECT 2053 2050 CONECT 2054 2021 CONECT 2055 2021 CONECT 2056 2020 CONECT 2057 2019 2058 CONECT 2058 2057 MASTER 0 0 0 0 0 0 0 0 2057 1 52 10 END
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Structure:
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1o0n
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1o0o
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1qhc
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1rnm
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1z6s
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3dxg
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4g8y
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4g90
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
0G0
EC.Number
E.C.3.1.27.5
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=30.8uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem. Vol. 20: pp. 7184-7193
Ligand Properties
Formula
C
1
2
H
1
6
FN
5
O
6
Molecular Weight
345.284
Exact Mass
345.108
No. of atoms
40
No. of bonds
42
Polar Surface Area
153.2
LOGP Value
-3.09 (
Computed with XLOGP3
)
-1.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)n1nnc(c1)CN1CC(=C(NC1=O)O)F
InChI String
InChI=1S/C12H16FN5O6/c13-6-3-17(12(23)14-10(6)22)1-5-2-18(16-15-5)11-9(21)8(20)7(4-19)24-11/h2,7-9,11,19-22H,1,3-4H2,(H,14,23)/t7-,8-,9+,11+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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